3-(2,4,6-Trinitrophenylamino)benzoic acid
Basic information
- CAS
7221-19-4- Standard SMILES
O=C(O)c1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1- InChIKey
POECFHVTFLONRY-UHFFFAOYSA-N- Molecular formula
- C13H8N4O8
- Average molar mass
- 348.22 g/mol
- Monoisotopic mass
- 348.03421323
Names & identifiers
- Preferred name
- 3-(2,4,6-Trinitrophenylamino)benzoic acid
- IUPAC
- 3-(2,4,6-trinitroanilino)benzoic acid
- English name
- 3-(2,4,6-Trinitrophenylamino)benzoic acid
- Molecular formula
- C13H8N4O8
- Molecular weight
- 348.22
Names & synonyms
7221-19-43-(2,4,6-TRINITROPHENYLAMINO)BENZOIC ACIDRefChem:490007666-962-43-[(2,4,6-trinitrophenyl)amino]benzoic acid3-((2,4,6-trinitrophenyl)amino)benzoic acidm-(2,4,6-Trinitroanilino)benzoic acidMLS000332098CHEMBL1405374POECFHVTFLONRY-UHFFFAOYSA-NHMS2767H08STK365498
Show more names
Benzoic acid, 3-[(2,4,6-trinitrophenyl)amino]-
AKOS005442771SMR0002215563-(2,4,6-Trinitroanilino)benzoic acid #benzoic acid, 3-(2,4,6-trinitroanilino)-ST505496393-(2,4,6-Trinitro-phenylamino)-benzoic acid
Database identifiers
- CAS
7221-19-4- PubChem CID
- 631571
- ChEMBL
CHEMBL1405374- EC Number
- 666-962-4
- Nikkaji
- J1.427.439A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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