Basic information
- CAS
603-15-6- Standard SMILES
Cc1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
MRVQHWLGKAVHRB-UHFFFAOYSA-N- Molecular formula
- C7H5N3O6
- Average molar mass
- 227.13 g/mol
- Monoisotopic mass
- 227.01783489
Names & identifiers
- Preferred name
- 3,4,5-Trinitrotoluene
- IUPAC
- 5-methyl-1,2,3-trinitrobenzene
- English name
- 3,4,5-TRINITROTOLUENE
- Molecular formula
- C7H5N3O6
- Molecular weight
- 227.13
Names & synonyms
3,4,5-Trinitrotoluene603-15-6Toluene, 3,4,5-trinitro-Benzene, 5-methyl-1,2,3-trinitro-BRN 2056922DTXSID002090514-05-00-00875 (Beilstein Handbook Reference)RefChem:90951DTXCID201315425-methyl-1,2,3-trinitrobenzene3,4,5-Trinitro-toluolSCHEMBL2478327
Show more names
3,4,5-trinitro-toluen1-Methyl-3,4,5-trinitrobenzene
SCHEMBL5253426SCHEMBL8734537SCHEMBL11802737MRVQHWLGKAVHRB-UHFFFAOYSA-N3,4,5 TNT
Database identifiers
- CAS
603-15-6- PubChem CID
- 69044
- DTXSID
DTXSID00209051- Nikkaji
- J59.705H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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