Octol
Basic information
- CAS
57607-37-1- Standard SMILES
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])CN([N+](=O)[O-])C1- InChIKey
UPSVYNDQEVZTMB-UHFFFAOYSA-N- Molecular formula
- C11H13N11O14
- Average molar mass
- 523.29 g/mol
- Monoisotopic mass
- 523.06434413
Overview
See also: Octolite, (dry OR wet with < 15% water) (annotation moved to).
Names & identifiers
- Preferred name
- Octol
- IUPAC
- 2-methyl-1,3,5-trinitrobenzene;1,3,5,7-tetranitro-1,3,5,7-tetrazocane
Names & synonyms
OctolRefChem:85605657607-37-1Cyclotetramethylenetetranitramine mixt. with trinitrotolueneOctoliteOctol AOctol 60/40Octol 76/23PBH 9UN0266SCHEMBL29367708DTXSID20973181
Show more names
Octolite or octol, dry or wetted with <15% water, by mass [UN0266] [Explosive 1.1D]1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-, mixt. with 2-methyl-1,3,5-trinitrobenzeneOctolite or octol, dry or wetted with <15% water, by mass1,3,5,7-Tetranitro-1,3,5,7-tetrazocane--2-methyl-1,3,5-trinitrobenzene (1/1)
Database identifiers
- CAS
57607-37-1- PubChem CID
- 62133
- DTXSID
DTXSID20973181
Properties
Computed structural properties
- Topological polar surface area
- 334 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 0
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 614
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
DOT Hazard Classification
Octolite or Octol, dry or wetted with less than 15 percent water, by mass
UN0266
Div 1.1 Explosives (with a mass explosion hazard) (49 eCFR § 173.50)
DHS Chemicals of Interest (COI)
Octolite
A Commercial Grade
5000
A Commercial Grade
400
Explosive chemical that can be released at a facility.
Regulatory information
DHS Chemicals of Interest (COI)
Octolite
A Commercial Grade
5000
A Commercial Grade
400
Explosive chemical that can be released at a facility.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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