Basic information
- CAS
632-92-8- Standard SMILES
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]- InChIKey
GGGVOOMKPJYWDF-UHFFFAOYSA-N- Molecular formula
- C8H7N3O6
- Average molar mass
- 241.16 g/mol
- Monoisotopic mass
- 241.03348494
Overview
2,4,6-trinitroxylene is a C-nitro compound that is m-xylene bearing three nitro substituents at positions 2, 4 and 6. It has a role as an explosive. It is functionally related to a m-xylene and a 1,3,5-trinitrobenzene.
Names & identifiers
- Preferred name
- 2,4,6-Trinitro-m-xylene
- IUPAC
- 2,4-dimethyl-1,3,5-trinitrobenzene
- English name
- 2,4,6-Trinitroxylene
- Molecular formula
- C8H7N3O6
- Molecular weight
- 241.16
Names & synonyms
2,4,6-Trinitro-m-xylene632-92-82,4,6-Trinitroxylenem-Xylene, 2,4,6-trinitro-Benzene, 2,4-dimethyl-1,3,5-trinitro-EINECS 211-187-52,4-Dimethyl-1,3,5-trinitro-benzeneCHEBI:77316DTXSID30212558NSC 36975NSC 405215RefChem:82161
Show more names
2,4,6-Trinitroxylene, TNX1,3-Dimethyl-2,4,6-trinitrobenzene
DTXCID60135049211-187-5GGGVOOMKPJYWDF-UHFFFAOYSA-N2,4-dimethyl-1,3,5-trinitrobenzeneTNX2,6-TrinitroxyleneNSC-36975NSC-405215
Database identifiers
- CAS
632-92-8- PubChem CID
- 69442
- DTXSID
DTXSID30212558- ChEBI
CHEBI:77316- UNII
- RKL5EUM959
- EC Number
- 211-187-5
- Nikkaji
- J6.901I
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
- 17
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 184 °C · 184°C
- Boiling point
- 383.92 °C · 383.92°C (rough estimate)
- Density
- 1.604 · 1.6040
- refractive index
- 1.74 · 1.7400 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 EUM959 · RKL5EUM959
- Symbol(GHS)
- 1 · GHS01,GHS08,GHS07
- Signal word
- Warning
- Hazard statements
- 201 · H201-H302-H312-H332-H373
- Precautionary statements
- 210 · P210-P230-P240-P250-P280-P370+P380-P372-P373-P401-P501-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P260-P314-P501
- Hazard Codes
- E,Xn
- Risk Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H201: (Deleted) Explosive; mass explosion hazard [Danger Explosives]
P210, P230, P240, P250, P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)
Danger
H201: (Deleted) Explosive; mass explosion hazard [Danger Explosives]
P210, P230, P240, P250, P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Explosive - division 1.1
Expl. 1.1
Safety data
- risk_code
- 2-20/21/22-33
- Signal word
- Warning
- Symbol(GHS)
- GHS01,GHS08,GHS07
- hazard_code
- E,Xn
- safety_code
- 35
- Hazard statements
- H201-H302-H312-H332-H373
- Precautionary statements
- P210-P230-P240-P250-P280-P370+P380-P372-P373-P401-P501-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P260-P314-P501
Chemistry & industry
Additional notes
DefinitionChEBI: A C-nitro compound that is m-xylene bearing three nitro substituents at positions 2, 4 and 6.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…