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6423-43-4 structure, C3H6N2O6
1-nitrooxypropan-2-yl nitrate
CAS No.: 6423-43-4 Formula: C3H6N2O6 Molecular Weight: 166.09000
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1-nitrooxypropan-2-yl nitrate

CAS No.:

6423-43-4

Formula:

C3H6N2O6

Molecular Weight: 166.09000
Suppliers: All (9) China Suppliers (3) Price Available(0) Contractor(0)

Description

Propylene glycol dinitrate (PGDN, 1,2-propylene glycol dinitrate, or 1,2-propanediol dinitrate) is an organic chemical, an ester of nitric acid and propylene glycol. It is structurally similar to nitroglycerin, except that it has one fewer -O-NO2 group. It is a characteristically and unpleasantly smelling colorless liquid, which decomposes at 121°C, below its boiling point. It is flammable and explosive. It is shock-sensitive and burns with a clean flame producing water, carbon monoxide, and nitrogen.
C3H6(ONO2)2 → 3 CO + 3 H2O + N2; The principal current use of propylene glycol dinitrate is as a propellant in Otto Fuel II, together with 2-nitrodiphenylamine and dibutyl sebacate. Otto Fuel II is used in some torpedoes as a propellant. ; Nitrates of polyhydric alcohols, of which propylene glycol dinitrate is an example, have been used in medicine for the treatment of angina pectoris, and as explosives since the mid-nineteenth century.
PGDN affects blood pressure, causes respiratory toxicity, damages liver and kidneys, distorts vision, causes methoglobinuria, and can cause headache and lack of coordination. It may be absorbed through skin. Its primary toxicity mechanism is methemoglobinemia. It may cause permanent nerve damage.
For occupational exposures, the National Institute for Occupational Safety and Health has set a recommended exposure limit at 0.05ppm (0.3mg/m3) over an eight-hour workday, for dermal exposures.

Numbering system

UNII 4BY6T6Y8D1

Properties

Density

1.423g/cm3

Boiling Point

206.7oC at 760 mmHg

Flash Point

98.5oC

Refractive Index

1.451

Safety Info

Hazard Class

1.1A

HS Code

2920909090

SDS 1.0

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SDS 1.0

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-nitrooxypropan-2-yl nitrate

1.2 Other means of identification

Product number -
Other names 1,2-dinitrooxy-propane

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
1-nitrooxypropan-2-yl nitrate 1-nitrooxypropan-2-yl nitrate 6423-43-4 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Exposure Routes: inhalation, skin absorption, ingestion, skin and/or eye contact Symptoms: Irritation eyes; conjunctivitis; methemoglobinemia; headache, impaired balance, visual disturbance Target Organs: Eyes, central nervous system, blood, liver, kidneys (NIOSH, 2016)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Maintain an open airway and assist ventilation if necessary. administer supplemental oxygen. Treat hypotension with supine positioning, crystalloid intravenous fluids, and low-dose pressors if needed. Monitor vital signs and ECG for 4-6 hours. Symptomatic methemoglobinemia may be treated with methylene blue. Administer activated charcoal if available. /Nitrates and Nitrites/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

/To Fight fire use/ powder, water spray, foam, carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Evacuate danger area! Consult an expert! Personal protection: complete protective clothing including self-contained breathing apparatus. Remove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Evacuate danger area! Consult an expert! Remove all ignition sources. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent and remove to safe place. (Extra personal protection: complete protective clothing including self-contained breathing apparatus.)

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Fireproof.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 0.05 ppm (0.3 mg/cu m). Skin designation.

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state Propylene glycol dinitrate is a colorless liquid with a disagreeable odor. Mp: -30°C. Density 1.37 g/cm3 at 20°C. Slightly soluble in water (7.97 g/L H2O at 24.85°C).
Colour Red-orange liquid
Odour no data available
Melting point/ freezing point -7.78°C (NIOSH, 2016)
Boiling point or initial boiling point and boiling range 206.7oC at 760 mmHg
Flammability Combustible LiquidGives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 98.5oC
Auto-ignition temperature no data available
Decomposition temperature 121°C
pH no data available
Kinematic viscosity no data available
Solubility 0.1 % (NIOSH, 2016)
Partition coefficient n-octanol/water (log value) log Kow = 1.59 /Estimated/
Vapour pressure 0.07 mm Hg at 22.22°C (NIOSH, 2016)
Density and/or relative density 1.423g/cm3
Relative vapour density (air = 1): 5.73
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

It is unstable under ordinary conditions, but it is stabilized by small additions of 2-nitrodiphenylamine and di-n-butyl sebacate... .

10.3 Possibility of hazardous reactions

PROPYLENE GLYCOL DINITRATE is explosive. Acts as a strong oxidizing agent. Heating may cause a violent combustion or explosion producing toxic fumes (nitrogen oxides). May also decompose explosively from shock, friction or from a build-up of electrostatic charge that sparks suddenly to ground. Can begin a vigorous reaction that culminates in an explosion if mixed with reducing agents including hydrides, sulfides, and nitrides and numerous ordinary combustible materials. Reacts violently with Al, BP, cyanides, esters, PN2H, P, NaCN, SnCl2, sodium hypophosphite, and thiocyanates. Reacts with acids and with alkalis, including ammonia and amines. Must be stored in a cool, ventilated place, away from acute fire hazards and easily oxidized materials.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Ammonia compounds, amines, oxidizers, reducing agents, combustible materials ... Similar to ethylene glycol dinitrate in explosion potential.

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /nitrogen oxide/

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 250 mg/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

Using Otto fuel II (76% 1,2-propanediol dinitrate, 22.5% dibutyl sebacate, and 1.5% 2-nitrodiphenylamine) as substrate, 1,2-propanediol dinitrate was shown to be poorly biodegraded using an activated sewage sludge, a pure culture of Pseudomonas aeruginosa, and a commercially available inoculum employed for the degradation of nitrogen containing wastes(1).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated for 1,2-propanediol dinitrate(SRC), using an estimated log Kow of 1.6(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1,2-propanediol dinitrate can be estimated to be 68(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,2-Propanediol dinitrate is expected to have high mobility in soil(SRC).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: no data available IMDG: no data available IATA: no data available

14.2 UN Proper Shipping Name

ADR/RID: no data available
IMDG: no data available
IATA: no data available

14.3 Transport hazard class(es)

ADR/RID: no data available IMDG: no data available IATA: no data available

14.4 Packing group, if applicable

ADR/RID: no data available IMDG: no data available IATA: no data available

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
1-nitrooxypropan-2-yl nitrate 1-nitrooxypropan-2-yl nitrate 6423-43-4 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 19, 2017
Revision Date Aug 19, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

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6423-43-4 NMR spectrum
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Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Administration into the eye Standard Draize test Rodent - rabbit 100 mg -
Inhalation TCLo - Lowest published toxic concentration Human 200 ppb/6H 1.Behavioral-headache
Inhalation TCLo - Lowest published toxic concentration Human 1500 ppb/5M 1.Sense Organs and Special Senses (Eye)-conjunctive irritation
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