3-Methyl-2,4,6-trinitroaniline
Basic information
- CAS
22603-58-3- Standard SMILES
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1[N+](=O)[O-]- InChIKey
RSUBARQODWIKOQ-UHFFFAOYSA-N- Molecular formula
- C7H6N4O6
- Average molar mass
- 242.15 g/mol
- Monoisotopic mass
- 242.02873392
Names & identifiers
- Preferred name
- 3-Methyl-2,4,6-trinitroaniline
- IUPAC
- 3-methyl-2,4,6-trinitroaniline
- English name
- Benzenamine,3-methyl-2,4,6-trinitro-
- Molecular formula
- C7H6N4O6
- Molecular weight
- 242.14574
Names & synonyms
2,4,6-Trinitro-m-toluidine3-methyl-2,4,6-trinitroanilineCCRIS 534422603-58-3m-Toluidine, 2,4,6-trinitro-NSC 80654BRN 21601568W8W9WZ1P2Benzenamine, 3-methyl-2,4,6-trinitro-3-Methyl-2,4,6-trinitrobenzenamineNSC-80654UNII-8W8W9WZ1P2
Show more names
Benzenamine,3-methyl-2,4,6-trinitro-
DTXSID001771253-12-00-02016 (Beilstein Handbook Reference)RefChem:198340DTXCID9099616Benzenamine, 3-methyl-2,4,6-trinitro-(9CI)654-549-1Benzenamine, 3-methyl-2,4,6-trinitro- (9CI)SCHEMBL1828689
Database identifiers
- CAS
22603-58-3- PubChem CID
- 96572
- DTXSID
DTXSID00177125- UNII
- 8W8W9WZ1P2
- EC Number
- 654-549-1
- Nikkaji
- J344.088E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- FDA UNII
- 8 W8W9WZ1P2 · 8W8W9WZ1P2
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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