3'-Chloro-4'-methylphthalanilic acid
Basic information
- CAS
19368-34-4- Standard SMILES
Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1Cl- InChIKey
KOYNWVOKPNESLL-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO3
- Average molar mass
- 289.71 g/mol
- Monoisotopic mass
- 289.0505709
Names & identifiers
- Preferred name
- 3'-Chloro-4'-methylphthalanilic acid
- IUPAC
- 2-[(3-chloro-4-methylphenyl)carbamoyl]benzoic acid
- English name
- N-(3-Chloro-4-Methyl-phenyl)-phthalaMic acid
- Molecular formula
- C15H12ClNO3
- Molecular weight
- 289.71
Names & synonyms
3'-Chloro-4'-methylphthalanilic acidRefChem:484655666-427-519368-34-42-[(3-chloro-4-methylphenyl)carbamoyl]benzoic acid2-((3-Chloro-4-methylphenyl)carbamoyl)benzoic acidNSC1643112-[(3-chloro-4-methyl-phenyl)carbamoyl]benzoic acidOprea1_847727Oprea1_870408SCHEMBL7813309DTXSID60304132
Show more names
N-(3-Chloro-4-Methyl-phenyl)-phthalaMic acid2-(3-Chloro-4-MethylphenylcarbaMoyl)benzoic acid, 97%Benzoic acid, 2-[[(3-chloro-4-methylphenyl)amino]carbonyl]-
STK267965AKOS001678090NSC-164311CS-0358314EU-0078396ST505525182-((3-Chloro-4-methylphenyl)carbamoyl)benzoicacidAK-918/41204434
Database identifiers
- CAS
19368-34-4- PubChem CID
- 295154
- DTXSID
DTXSID60304132- EC Number
- 666-427-5
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 374
Physicochemical properties
- Boiling point
- 396 · 396.0±42.0 °C(Predicted)
- Density
- 1.385 · 1.385±0.06 g/cm3(Predicted)
- pka
- 3.43 · 3.43±0.36(Predicted)
- CAS DataBase Reference
- 19368 · 19368-34-4
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H400
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501-P264-P270-P301+P312-P330-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
- H302-H319-H400
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501-P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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