Basic information
- CAS
28260-61-9- Standard SMILES
O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1[N+](=O)[O-]- InChIKey
SRYLRVUJDQTFDL-UHFFFAOYSA-N- Molecular formula
- C6H2ClN3O6
- Average molar mass
- 247.55 g/mol
- Monoisotopic mass
- 246.9632125
Names & identifiers
- Preferred name
- Benzene, chlorotrinitro-
- IUPAC
- 1-chloro-2,3,4-trinitrobenzene
Names & synonyms
Benzene, chlorotrinitro-28260-61-9UN0155SCHEMBL672105SCHEMBL30946523Trinitrochlorobenzene or picryl chlorideTrinitrochlorobenzene or picryl chloride [UN0155] [Explosive 1.1D]
Database identifiers
- CAS
28260-61-9- PubChem CID
- 34196
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
Chemical Classes
Other Uses -> Explosives
Flammable agents - 4th degree
Vapor Pressure0.00000383 [mmHg]
Physical DescriptionLight yellow solid; [CAMEO]
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
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards SummaryDetonating explosive and strong oxidizing agent; As stable to shock as TNT; [CAMEO] See Picryl chloride.
DOT Hazard Classification
Trinitrochlorobenzene or Picryl chloride
UN0155
Div 1.1 Explosives (with a mass explosion hazard) (49 eCFR § 173.50)
Hazard Classes and CategoriesFlammable agents - 4th degree, Reactive agents - 4th degree
Safety & protection
Protective Action Criteria (PAC)
1.2 [mg/m3]
13 [mg/m3]
79 [mg/m3]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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