Benzoic acid, 2-(((3-methoxyphenyl)amino)carbonyl)-
Basic information
- CAS
19336-97-1- Standard SMILES
COc1cccc(NC(=O)c2ccccc2C(=O)O)c1- InChIKey
RKFAVXPUBJHXOI-UHFFFAOYSA-N- Molecular formula
- C15H13NO4
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.0844579
Names & identifiers
- Preferred name
- Benzoic acid, 2-(((3-methoxyphenyl)amino)carbonyl)-
- IUPAC
- 2-[(3-methoxyphenyl)carbamoyl]benzoic acid
- English name
- 3'-Methoxyphthalanilic acid
- Molecular formula
- C15H13NO4
- Molecular weight
- 271.27
Names & synonyms
3'-methoxyphthalanilic acidBenzoic acid, 2-(((3-methoxyphenyl)amino)carbonyl)-19336-97-1DTXSID00172933RefChem:565316DTXCID9095424668-095-72-[(3-methoxyphenyl)carbamoyl]benzoic acidOprea1_658257SCHEMBL3209880RKFAVXPUBJHXOI-UHFFFAOYSA-NAKOS002819766
Show more names
Benzoic acid, 2-[[(3-methoxyphenyl)amino]carbonyl]-
2-[(3-Methoxyanilino)carbonyl]benzoic Acid2-[(3-Methoxyanilino) carbonyl] benzoic acid
Database identifiers
- CAS
19336-97-1- PubChem CID
- 62733
- DTXSID
DTXSID00172933- EC Number
- 668-095-7
- Nikkaji
- J790.001E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · 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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, 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.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
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Related reactions
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Compound notes
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