CAS 19218-88-3 4-Chloro-2-(phenylamino)benzoic acid (HCID 615334)

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Basic information

CAS: 19218-88-3
Standard SMILES: O=C(O)c1ccc(Cl)cc1Nc1ccccc1
InChIKey: MTIKNMBLKUFLKL-UHFFFAOYSA-N
Molecular formula: C13H10ClNO2
Average molar mass: 247.67 g/mol
Monoisotopic mass: 247.04000624

Names & identifiers

Preferred name: 4-Chloro-2-(phenylamino)benzoic acid
IUPAC: 2-anilino-4-chlorobenzoic acid
English name: 4-Chloro-2-phenylamino-benzoic acid
Molecular formula: C13H10ClNO2
Molecular weight: 247.68

Names & synonyms

19218-88-34-chloro-2-(phenylamino)benzoic acid2-Anilino-4-chlorobenzoic acid4-chloro-2-phenylamino-benzoic acidCHEMBL3961002MFCD001570074-Chloro-2-phenylaminobenzoic acid5-Chlorodiphenylamine 2-carboxylic acidOprea1_146179SCHEMBL95156042-anilino-4-chloro-benzoic acidDTXSID10346820

Show more names

ART-CHEM-BB B019637N-phenyl-4-chloroanthranilic acidBenzoic acid, 4-chloro-2-(phenylamino)-

ALBB-0366694-chloro-2-(phenylamino)benzoicacidBDBM50201624STK315316AKOS003790814CCG-356620FS-6610SB77302

Database identifiers

CAS: 19218-88-3
PubChem CID: 615334
DTXSID: DTXSID10346820
ChEMBL: CHEMBL3961002
EC Number: 675-269-6
Nikkaji: J469.247K

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 266

Experimental & physicochemical properties

LogP4.25

Physicochemical properties

Melting point: 207 °C · 207 °C
Boiling point: 402 · 402.0±35.0 °C(Predicted)
Density: 1.376 · 1.376±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 3.24 · 3.24±0.36(Predicted)
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS02
Hazard statements: H226
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235