Basic information
- CAS
69076-57-9- Standard SMILES
Cc1cc(C)cc(NC(=O)c2ccccc2C(=O)O)c1- InChIKey
FHJIPYNBUZLPGS-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- 2-((3,5-Dimethylanilino)carbonyl)benzoic acid
- IUPAC
- 2-[(3,5-dimethylphenyl)carbamoyl]benzoic acid
- English name
- 2-[(3,5-dimethylanilino)carbonyl]benzoic acid
- Molecular formula
- C16H15NO3
- Molecular weight
- 269.3
Names & synonyms
2-((3,5-DIMETHYLANILINO)CARBONYL)BENZOIC ACIDRefChem:447976665-179-52-[(3,5-dimethylphenyl)carbamoyl]benzoic acid69076-57-92-((3,5-Dimethylphenyl)carbamoyl)benzoic acidTimTec1_003052Oprea1_034190Oprea1_680420DTXSID10352623HMS1542K16AKOS000483632
Show more names
2-[(3,5-dimethylanilino)carbonyl]benzoic acid2-{[(3,5-dimethylphenyl)amino]carbonyl}benzoic acidBenzoic acid, 2-[[(3,5-dimethylphenyl)amino]carbonyl]-
ST0403032-[N-(3,5-dimethylphenyl)carbamoyl]benzoic acid
Database identifiers
- CAS
69076-57-9- PubChem CID
- 730366
- DTXSID
DTXSID10352623- EC Number
- 665-179-5
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P273-P391-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, 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,GHS09
- Hazard statements
- H400-H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Suppliers4 total
ARONIS[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
MATRIX[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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