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2691-41-0

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Basic Information
CAS No.: 2691-41-0
Name: Octogen
Article Data: 27
Molecular Structure:
Molecular Structure of 2691-41-0 (Octogen)
Formula: C4H8 N8 O8
Molecular Weight: 296.156
Synonyms: 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane;beta-1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane;cyclotetramethylene-tetranitramine;cyclotetramethylenetetranitramine;HMX;octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine;octogen
EINECS: 220-260-0
Density: 1.95 g/cm3
Melting Point: 286ºC
Boiling Point: 906.1ºC
Flash Point: 501.8ºC
Solubility: Soluble in acetone in water
Appearance: White crystalline solid.
Hazard Symbols: ToxicTFlammableF
Risk Codes: 11-23/24/25-36/37/38
Safety: A poison by ingestion and intravenous routes. An explosive. Decomposes violently at 279°C. When heated to decomposition it emits toxic fumes of NOx. See also EXPLOSIVES, HIGH.
PSA: 196.24000
LogP: -0.35080
Related products
Synthetic route
41378-98-7

1,3,5,7-tetraacetyloctahydro-1,3,5,7-tetrazocine

2691-41-0

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

Conditions
ConditionsYield
With phosphorus pentoxide at 5 - 75℃; for 0.25h; Concentration; Temperature; Time;95%
5755-28-2

1‑nitroso‑3,5,7‑trinitro‑1,3,5,7‑tetraazacyclooctane

2691-41-0

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

Conditions
ConditionsYield
With nitric acid In water at 0 - 20℃; for 0.5h;95%
With nitric acid at 25℃; for 0.5h; Reagent/catalyst;92.8%
50850-26-5

1,5-diacetyl-3,7-dinitro-1,3,5,7-tetraazacyclooctane

2691-41-0

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

Conditions
ConditionsYield
With nitric acid at 20℃; for 1h; Concentration; Time;90%
With PPA; nitric acid77%
With nitric acid; phosphorus pentoxide at 50℃; for 0.833333h;
949-56-4

3,7-dinitro-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane

2691-41-0

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

Conditions
ConditionsYield
With ammonium nitrate; nitric acid; dinitrogen pentoxide at 40℃; for 0.019445h; Ionic liquid; Sonication;87.4%
Stage #1: 3,7-dinitro-1,3,5,7-tetraaza-bicyclo[3.3.1]nonane With ammonium nitrate; nitric acid; triethylammonium toluene-p-sulfonate; dinitrogen pentoxide at 0 - 25℃; for 0.333333h;
Stage #2: With water at 40 - 65℃; for 0.5h;		69%
With bismuth (III) nitrate pentahydrate; nitric acid In neat (no solvent) at 0℃; for 2h; Reagent/catalyst;65%

diammonium 1,3,5,7-tetraazabicyclo[3.3.1]nonane-3,7-disulfonate sulfate

A

121-82-4

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

B

2691-41-0

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

Conditions
ConditionsYield
With ammonium nitrate; nitric acid In acetic anhydride; acetic acid at 70℃; for 0.333333h;A 70%
B 30%
100-97-0

hexamethylenetetramine

2691-41-0

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

Conditions
ConditionsYield
With ammonium nitrate; boron trifluoride diethyl etherate; nitric acid; acetic anhydride In acetic acid at 44℃; for 1.25h;16.9%
With nitric acid; acetic anhydride; acetic acid
50-00-0

formaldehyd

2691-41-0

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

Conditions
ConditionsYield
With ammonium hydroxide
17036-58-7

3,7-dinitro-1,3,5,7-tetraaza-bicyclo[3.3.2]decane

7697-37-2

nitric acid

108-24-7

acetic anhydride

NO3

NO3

2691-41-0

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

Conditions
ConditionsYield
at 25℃;
...Expand
17036-58-7

3,7-dinitro-1,3,5,7-tetraaza-bicyclo[3.3.2]decane

7697-37-2

nitric acid

NO3

NO3

A

121-82-4

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

B

2691-41-0

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

Conditions
ConditionsYield
at 70 - 75℃;
...Expand
7697-37-2

nitric acid

5754-75-6

1-acetoxymethyl-3,5,7-trinitro-[1,3,5,7]tetrazocane

108-24-7

acetic anhydride

64-19-7

acetic acid

NO3

NO3

A

121-82-4

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

B

2691-41-0

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

...Expand
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Chemistry

IUPAC Name:1,3,5,7-tetranitro-1,3,5,7-tetrazocane
Molecular Formula:C4H8N8O8
Molecular Weight:296.20
Density:1.95 g/cm3
Melting Point:286°C
Boiling Point:906.1°C
Flash Point:501.8°C
Solubility:Soluble in acetone in water
Appearance:White crystalline solid
Cyclotetramethylene tetranitramine's(2691-41-0) Synonyms: OCTAHYDRO-1,3,5,7-TETRANITRO-1,3,5,7-TETRAZOCINE;OCTOGEN;TETRAMETHYLENE TETRANITRAMINE;1,3,5,7-TETRANITRO-1,3,5,7-TETRAAZACYCLOOCTANE;HOMOCYCLONITE;HMX;LABOTEST-BB LT00044465;Cyclotetramethylene tetranitramine
Cyclotetramethylene tetranitramine's(2691-41-0) Molecular Structure:

Uses

Cyclotetramethylene tetranitramine(2691-41-0) is used for explosives.

Toxicity Data With Reference

1.   

orl-mus LD50:1500 mg/kg

   GISAAA    Gigiena i Sanitariya. 40 (11)(1975),17.
2.   

ivn-dog LDLo:40 mg/kg

   EATR**    U.S. Army, Edgewood Arsenal Technical Report. (Aberdeen Proving Ground, MD 21010) EB-TR-73040 .
3.   

orl-gpg LD50:300 mg/kg

   GISAAA    Gigiena i Sanitariya. 40 (11)(1975),17.
4.   

ivn-gpg LD50:28 mg/kg

   EATR**    U.S. Army, Edgewood Arsenal Technical Report. (Aberdeen Proving Ground, MD 21010) EB-TR-73040 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A poison by ingestion and intravenous routes. An explosive. Decomposes violently at 279°C. When heated to decomposition it emits toxic fumes of NOx. See also EXPLOSIVES, HIGH.

Safety Information
Hazard Codes  F,T
Risk Statements  11-23/24/25-36/37/38
Safety Statements  16-27-45
RIDADR  0226
HazardClass  1.1D

Standards and Recommendations

DOT Classification:  Forbidden (dry or unphlegmatized); DOT Class: EXPLOSIVE 1.1D; Label: EXPLOSIVE 1.1D