2691-41-0 structure, C4H8N8O8

octogen

CAS No.

2691-41-0

Formula:

C4H8N8O8

Basic Info

HMX, also called octogen, is a powerful and relatively insensitive nitroamine high explosive, chemically related to RDX. Like RDX, the compound's name is the subject of much speculation, having been variously listed as High Melting eXplosive, Her Majesty's eXplosive, High-velocity Military eXplosive, or High-Molecular-weight rdX.
The molecular structure of HMX consists of an eight-membered ring of alternating carbon and nitrogen atoms, with a nitro group attached to each nitrogen atom. Because of its high molecular weight, it is one of the most potent chemical explosives manufactured, although a number of newer ones, including HNIW and ONC, are more powerful.

Formula
C4H8N8O8
Molecular Weight
296.155
Exact Mass
296.047
LogP
-0.3508
PSA
196.24
Synonyms

Oktogen

cyclotetramethylenetetranitramine

1,3,5,7-tetranitrooctahydro-1,3,5,7-tetrazocine

HW 4

1,3,5,7-Tetranitro-1,3,5,7-tetraazacyclooctane

Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine

cyclotetranitromethylenetetranitramine

1,3,5,7-Tetrazocine,octahydro-1,3,5,7-tetranitro

Octogen

Tetramethylenetetranitramine

1,3,5,7-tetranitro-1,3,5,7-tetrazocane

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Properties

Appearance & Physical State
White crystalline solid.
Density
1.95 g/cm3
Boiling Point
906.1ºC
Melting Point
286ºC
Flash Point
501.8ºC
Refractive Index
1.693
Storage Condition
2-8ºC
Vapor Pressure
2.07E-32mmHg at 25°C

Safety Info

Safety Statements
S16; S27; S45
Risk Statements
R11
HS Code
2933990060
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 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name octogen

1.2 Other means of identification

Product number -
Other names Oktogen

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. 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 4

Acute toxicity - Dermal, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H201 Explosive; mass explosion hazard

H302 Harmful if swallowed

H311 Toxic in contact with skin

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.

Response

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

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/…if you feel unwell.

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

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

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
octogen octogen 2691-41-0 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.

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. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

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

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . /Explosives/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Evacuation: If the material is on fire or involved in fire consider evacuation of one (1) mile radius.

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)

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. Personal protection: chemical protection suit. Cover the spilled material with water. Carefully collect remainder. Then store and dispose of according to local regulations. Do NOT wash away into sewer. Do NOT let this chemical enter the environment.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

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. Separated from strong bases and strong acids. Store in an area without drain or sewer access.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

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 White crystalline solid.
Colour White crystalline solid
Odour no data available
Melting point/ freezing point 286ºC
Boiling point or initial boiling point and boiling range 906.1ºC
Flammability Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 501.8ºC
Auto-ignition temperature 234°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water = 1.40X10+2 mg/L at 83°C
Partition coefficient n-octanol/water (log value) log Kow = 0.16
Vapour pressure 2.07E-32mmHg at 25°C
Density and/or relative density 1.95 g/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

Stability at 300 deg K beta>alpha>gamma>delta. Beta is stable at room temp; alpha at 115-156°C; gamma at 156°C; delta at /approximately/ 170-279°C.

10.3 Possibility of hazardous reactions

As a result of flow, agitation, etc., electrostatic charges can be generated. Dust explosion possible if in powder or granular form, mixed with air.CYCLOTETRAMETHYLENE TETRANITRAMINE, [WET WITH >= 10% WATER] is a high explosive. May begin a vigorous reaction that culminates in a detonation if mixed with reducing agents, including hydrides, sulfides and nitrides. May explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water. Presence of metal oxides increases thermal sensitivity. Wetting reduces sensitivity toward detonation.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

Decomposes violently at 279°C

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 1500 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: D; not classifiable as to human carcinogenicity. BASIS FOR CLASSIFICATION: No cancer bioassays or epidemiological studies are available. 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 Pimephales promelas (Fathead minnow, 7-day old) 15 mg/L/96 hr; static /formulated product
  • Toxicity to daphnia and other aquatic invertebrates: LC50 Daphnia magna (Water flea; intoxication, immobilization) >32 mg/L/24, 48 hr; static /formulated product
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Cyclotetramethylenetetranitramine has been reported to be resistant to biodegradation under aerobic conditions(1,2,3,4). No loss of cyclotetramethylenetetranitramine was observed in either fortified or field contaminated soil samples after 56 days during an aerobic biodegradation study(5). Cyclotetramethylenetetranitramine (22 mg/L) was not biodegraded aerobically after 28 days using a sludge enrichment culture from a sewage treatment plant(6). Bioremediation studies have reported that aerobic biodegradation of cyclotetramethylenetetranitramine is possible under specific conditions. Degradation of cyclotetramethylenetetranitramine was studied in water samples from the Holston River near the Holston Army Ammunition Plant in Kingsport, TN(7,8). Samples were collected downstream from a wasteline where this substance has been historically released. Cyclotetramethylenetetranitramine was not degraded aerobically after 15 days in the river water alone(7). However, when 50 ppm sterile yeast extract was added, the concentration decreased from 4 ppm to less than 0.1 ppm after three days of incubation(7). It was noted that degradation took place only in fresh samples and was not observed in stored river water. In a separate study, the biodegradation of cyclotetramethylenetetranitramine in dextrose, molasses, alfalfa, livestock manure, and in historically contaminated soil ranged from none to a reduction in concentration from 6 to 1 mg/L(9). Horse manure was reported to be the most successful regime(9). The biodegradability of cyclotetramethylenetetranitramine in an activated sludge unit, 5 days retention time, has been reported to be 53%(10).

12.3 Bioaccumulative potential

An estimated BCF of 1 was calculated for cyclotetramethylenetetranitramine(SRC), using a log Kow of 0.16(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

Experimentally determined Koc values for cyclotetramethylenetetranitramine in an agricultural topsoil and in Sasifrass sandy loam were 30 and 209, respectively(1). According to a classification scheme(2), Koc values ranging from 30-290 suggest that cyclotetramethylenetetranitramine is expected to have very high to moderate mobility in soil. A Koc value of 670 was determined for this chemical in Holston River sediment based on a measured sorption coefficient of 8.7 and an organic carbon content of 1.3%(3).

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: UN0226 IMDG: UN0226 IATA: UN0226

14.2 UN Proper Shipping Name

ADR/RID: CYCLOTETRAMETHYLENE- TETRANITRAMINE (HMX; OCTOGEN), WETTED with not less than 15% water, by mass†
IMDG: CYCLOTETRAMETHYLENE- TETRANITRAMINE (HMX; OCTOGEN), WETTED with not less than 15% water, by mass†
IATA: CYCLOTETRAMETHYLENE- TETRANITRAMINE (HMX; OCTOGEN), WETTED with not less than 15% water, by mass†

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
octogen octogen 2691-41-0 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 Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 18, 2017
Revision Date Aug 18, 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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Synthesis Route

1.Synthesis Route
2.Synthesis Route
3.Synthesis Route

Toxicity

OTHER MULTIPLE DOSE TOXICITY DATA
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Type of Test
TDLo - Lowest published toxic dose
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
153 mg/kg/22W-I
Toxic Effects
Brain and Coverings--other degenerative changes<br>Behavioral--alteration of classical conditioning
Reference
Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 40(11),17,1975

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