2-[Methyl(phenyl)carbamoyl]benzoic acid
Basic information
- CAS
16931-47-8- Standard SMILES
CN(C(=O)c1ccccc1C(=O)O)c1ccccc1- InChIKey
VBCNWIPFKYOODC-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Names & identifiers
- Preferred name
- 2-[Methyl(phenyl)carbamoyl]benzoic acid
- IUPAC
- 2-[methyl(phenyl)carbamoyl]benzoic acid
- English name
- 2-{[Methyl(phenyl)amino]carbonyl}benzoic acid
- Molecular formula
- C15H13NO3
- Molecular weight
- 255.27
Names & synonyms
16931-47-82-[methyl(phenyl)carbamoyl]benzoic acid2-{[methyl(phenyl)amino]carbonyl}benzoic acid2-([Methyl(phenyl)amino]carbonyl)benzoic acid2-(Methyl(phenyl)carbamoyl)benzoic acid2-[[METHYL(PHENYL)AMINO]CARBONYL]BENZOIC ACIDBenzoic acid,2-[(methylphenylamino)carbonyl]-Oprea1_772756DTXSID10397377RAA93147AKOS0002639862-(Methyl(phenyl)carbamoyl)benzoicacid
Show more names
Zinc03209443Benzoic acid, 2-[(methylphenylamino)carbonyl]-
CS-0231327EN300-10791Z57127322
Database identifiers
- CAS
16931-47-8- PubChem CID
- 3854465
- DTXSID
DTXSID10397377- EC Number
- 160-627-1
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 454.4 · 454.4±37.0 °C(Predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- pka
- 3.39 · 3.39±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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