121-82-4 structure, C3H6N6O6

Hexogen

CAS No.

121-82-4

Formula:

C3H6N6O6

Basic Info

RDX, an initialism for Research Department explosive, is an explosive nitroamine widely used in military and industrial applications. It was developed as an explosive which was more powerful than TNT, and it saw wide use in World War II. RDX is also known as Research Department Formula X, cyclonite, hexogen (particularly in German and German-influenced languages), and T4. Its chemical name is cyclotrimethylenetrinitramine; name variants include cyclotrimethylene-trinitramine and cyclotrimethylene trinitramine.
In its pure, synthesized state RDX is a white, crystalline solid. It is often used in mixtures with other explosives and plasticizers, phlegmatizers or desensitizers. RDX is stable in storage and is considered one of the most powerful and brisant of the military high explosives.

Formula
C3H6N6O6
Molecular Weight
222.116
Exact Mass
222.035
LogP
-0.2631
PSA
147.18
Synonyms

Geksogen

1,3,5-trinitrohexahydro-s-triazine

cyclotrimethylenetrinitroamine

1,3,5-TRINITROHEXAHYDRO-1,3,5-TRIAZINE

RDX

Cyklonit

1,3,5-trinitro-1,3,5-triazinane

Heksogen

Hexogeen

Hexahydro-1,3,5-trinitro-1,3,5-triazine

1,3,5-trinitro-1,3,5-triazacyclohexane

cyclo-trimethylene-trinitramine

1,3,5-Triazine, hexahydro-1,3,5-trinitro-

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Properties

Density
1.89g/cm3
Boiling Point
747ºC at 760mmHg
Melting Point
205ºC
Flash Point
405.6ºC
Refractive Index
1.668
Stability
Stability Unstable. Explosive.
Storage Condition
2-8ºC
Vapor Pressure
2.66E-21mmHg at 25°C

Safety Info

Safety Statements
S16; S27; S45
Risk Statements
R11
HS Code
2933990070
RIDADR
2810
Hazard Class
1.1
Hazard Codes

MSDS

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 Hexogen

1.2 Other means of identification

Product number -
Other names Geksogen

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Fuels and fuel additives,Laboratory chemicals,Propellants and blowing agents
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

Explosives, Division 1.1

Acute toxicity - Oral, Category 3

Specific target organ toxicity – single exposure, Category 1

Specific target organ toxicity – repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H201 Explosive; mass explosion hazard

H301 Toxic if swallowed

H370 Causes damage to organs

H373 May cause damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P230 Keep wetted with …

P234 Keep only in original packaging.

P240 Ground and bond container and receiving equipment.

P250 Do not subject to grinding/shock/friction/….

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P370+P372+P380+P373 In case of fire: Explosion risk. Evacuate area. DO NOT fight fire when fire reaches explosives.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P308+P311 IF exposed or concerned: Call a POISON CENTER/doctor/...

P314 Get medical advice/attention if you feel unwell.

Storage

P401 Store in accordance with…

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
Hexogen Hexogen 121-82-4 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. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap.

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. Do NOT induce vomiting. Give a slurry of activated charcoal in water to drink. Refer immediately 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, skin; headache, irritability, lassitude (weakness, exhaustion), tremor, nausea, dizziness, vomiting, insomnia, convulsions Target Organs: Eyes, skin, central nervous system (NIOSH, 2016)

Excerpt from ERG Guide 112 [Explosives* - Division 1.1, 1.2, 1.3 or 1.5]: Fire may produce irritating, corrosive and/or toxic gases. (ERG, 2016)

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

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. /Explosives/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

If material on fire or involved in fire: Dangerously explosive. Do not fight fires in a cargo of explosives. Evacuate area and let burn.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 112 [Explosives* - Division 1.1, 1.2, 1.3 or 1.5]: MAY EXPLODE AND THROW FRAGMENTS 1600 METERS (1 MILE) OR MORE IF FIRE REACHES CARGO. For information on "Compatibility Group" letters, refer to Glossary section. (ERG, 2016)

Excerpt from ERG Guide 112 [Explosives* - Division 1.1, 1.2, 1.3 or 1.5]: MAY EXPLODE AND THROW FRAGMENTS 1600 METERS (1 MILE) OR MORE IF FIRE REACHES CARGO. For information on "Compatibility Group" letters, refer to Glossary section. (ERG, 2016)

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! Remove all ignition sources. Do NOT let this chemical enter the environment.

6.3 Methods and materials for containment and cleaning up

After covering the spills with soda ash, mix, & spray with water. Scoop into a bucket of water and let it stand for 2 hr. Neutralize with 6 molar hydrochloric acid ... .

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

Substance should be kept wet. Fireproof. Well closed. Separated from combustible substances and strong oxidizers. Store in an area without drain or sewer access.Store only in a permanent magazine. Protect container against physical damage. Store away from initiator explosives. Separate from oxidizing materials, combustibles & sources of heat.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limits: 15 Minute Short-Time Exposure Limit: 3 mg/cu m. Skin.

Recommended Exposure Limits: 10 Hour Time-Weighted Average: 1.5 mg/cu m, skin.

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 Cyclotrimethylene trinitramine is an explosive. The explosion can be initiated by a sudden shock, high temperature or a combination of the two. The primary hazard is from blast effect and not from flying projectiles and fragments. Under prolonged exposure to heat or fire they can explode.
Colour White, crystalline powder
Odour no data available
Melting point/ freezing point 205ºC
Boiling point or initial boiling point and boiling range 747ºC at 760mmHg
Flammability Combustible Solid [EXPLOSIVE!]Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 405.6ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility Insoluble (NIOSH, 2016)
Partition coefficient n-octanol/water (log value) log Kow = 0.87
Vapour pressure 2.66E-21mmHg at 25°C
Density and/or relative density 1.89g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

The stability of cyclonite is considerably superior to that of PETN /pentaerythritol tetranitrate/ and nearly equal to TNT. It withstands storage at 85°C for 10 months or at 100°C for 100 hr without measurable deterioration.

10.3 Possibility of hazardous reactions

Dangerous due to fire ... hazard. /nitrates/CYCLOTRIMETHYLENE TRINITRAMINE is incompatible with strong oxidizing agents, combustible materials and heat. Detonates on contact with mercury fulminate (NIOSH, 2016). Danger of explosion when dry. The self heating and explosive decomposition of the explosive and aqueous alkali (calcium hydroxide) has been studied, [Chem Abs., 1988, 109, 112968].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

During the preparation of 1-acetylhexahydro-3,5-dinitro-1,3,5-triazine, a contaminant formed during the manufacture of RDX, a mixture consisting of 3:1 molar ratio of nitric acid:1,3-triacetylhexahydro-1,3,5-triazine in trifluoroacetic anhydride detonated without warning.

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of/nitrogen oxides/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 59 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

CLASSIFICATION: C; possible human carcinogen. BASIS FOR CLASSIFICATION: Hepatocellular adenomas and carcinomas in female B6C3F1 mice. HUMAN CARCINOGENICITY DATA: None.

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: LC50; Species: Lepomis macrochirus (Bluegill); Conditions: static, pH 6.0; Concentration: 3.6 mg/L for 96 hr (95% confidence interval: 1.9-6.6 mg/L)
  • Toxicity to daphnia and other aquatic invertebrates: LC50; Species: Daphnia magna (Water flea); Conditions: flow through; Concentration: >15 mg/L for 96 hr
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Cyclonite was found to be resistant to aerobic degradation using inocula from a variety of sources(1-3). In a 70-liter biological treatment simulator, cyclonite underwent 14% degradation in 5 days using an activated sludge inoculum(4). Aerobic soil cultures containing cyclonite at 30 ppm, plus added potato starch as a supplemental carbon source, were not able to degrade cyclonite even after 24 days of incubation(5). In the treatment of a wastewater containing cyclonite and TNT, only a small amount of the cyclonite was removed in an aerobic static biological reactor, followed by removal of >85% of the cyclonite in a contact oxidation reactor(6). Cyclonite, added to 3 different soil samples and incubated for 56 days under aerobic conditions was not biodegraded(7). Cyclonite was not degraded following 90 days incubation with water from the Holston River(8).

12.3 Bioaccumulative potential

Bioconcentration in bluegill sunfish /Lepomis macrochirus/, channel catfish /Ictalurus punctatus/, and fathead minnow /Pimephales promelas/ was measured for cyclonite concentrations of 0.014 and 1.0 mg/L(1). The bioconcentration factors in edible tissue at the lower concentration ranged from 4.0 in catfish to 5.9 in fathead minnow and were slightly higher in viscera (5 in catfish to 11 in fathead minnows)(1). Elimination of all cyclonite from the fish tissues at the low dose exposure occurred after 14 days in the bluegill and catfish but not totally in the minnow. At the higher dose, minnows and catfish eliminated 70-84% of the accumulated cyclonite but no elimination occurred in the bluegill(1). The BCFs of cyclonite in sheepshead minnows (Cyprinodon variegatus) are reported as 1.0, 2.1, 1.6, 0.6 and 0.7 in the liver, viscera, gills, body remains and whole body, respectively, exposed for 24 hours at a cyclonite concentration of 8.11-8.14 mg/L(2). According to a classification scheme(3), these BCF values suggest that bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

DOWNWARD MOVEMENT OF RDX THROUGH INTACT SOIL COLUMNS SHOWED VERY LITTLE DETECTABLE MOVEMENT OF THE MUNITION COMPOUND OR ITS TRANSFORMATION PRODUCTS IN THIS TIME FRAME. THE STUDY WAS CONDUCTED FOR 6 MO. SOIL SAMPLES WERE TAKEN AT SELECTED INTERVALS IN THE SOIL PROFILES WITH AN OAKFIELD SAMPLER.

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: UN2810 IMDG: UN2810 IATA: UN2810

14.2 UN Proper Shipping Name

ADR/RID: TOXIC LIQUID, ORGANIC, N.O.S.
IMDG: TOXIC LIQUID, ORGANIC, N.O.S.
IATA: TOXIC LIQUID, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 1.1 IMDG: 1.1 IATA: 1.1

14.4 Packing group, if applicable

ADR/RID: unknown IMDG: unknown IATA: unknown

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
Hexogen Hexogen 121-82-4 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 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) 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.

Spectrum

NMR Spectrum 1H NMR : Predict
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Toxicity

ACUTE TOXICITY DATA
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Type of Test
TDLo - Lowest published toxic dose
Exposure Route
Oral
Species Observed
Human - child
Dose/Duration
85 mg/kg
Toxic Effects
Behavioral--convulsions or effect on seizure threshold
Reference
Journal of Toxicology, Clinical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.19- 1982- Volume(issue)/page/year: 24,305,1986
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
100 mg/kg
Toxic Effects
Behavioral--convulsions or effect on seizure threshold
Reference
Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 39,531,1977

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