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Basic Information
CAS No.: 91-38-3
Name: 4-CHLORO-2-(4-METHOXY-PHENYLAMINO)-BENZOIC ACID
Molecular Structure:
Molecular Structure of 91-38-3 (4-CHLORO-2-(4-METHOXY-PHENYLAMINO)-BENZOIC ACID)
Formula: C14H12 Cl N O3
Molecular Weight: 277.707
Synonyms: Anthranilicacid, 4-chloro-N-(p-methoxyphenyl)- (7CI,8CI);4-Chloro-N-(p-methoxyphenyl)anthranilic acid; NSC 41150
Density: 1.361g/cm3
Boiling Point: 433.6°C at 760 mmHg
Flash Point: 216°C
Safety: Poison by subcutaneous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx.
PSA: 58.56000
LogP: 3.86340
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Chemistry

Product Name: 4-Chloro-N-(p-methoxyphenyl)anthranilic acid (CAS NO.91-38-3)


Molecular Formula: C14H12ClNO3
Molecular Weight: 277.72g/mol
Mol File: 91-38-3.mol
EINECS: 202-065-2
Boiling point: 433.6 °C at 760 mmHg
Flash Point: 216 °C
Density: 1.361 g/cm3
Enthalpy of Vaporization: 72.68 kJ/mol
Vapour Pressure: 2.76E-08 mmHg at 25°C
XLogP3-AA: 5.5
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of 4-Chloro-N-(p-methoxyphenyl)anthranilic acid (CAS NO.91-38-3):
  IUPAC Name: 4-Chloro-2-(4-methoxyanilino)benzoic acid
  Canonical SMILES: COC1=CC=C(C=C1)NC2=C(C=CC(=C2)Cl)C(=O)O
  InChI: InChI=1S/C14H12ClNO3/c1-19-11-5-3-10(4-6-11)16-13-8-9(15)2-7-12(13)14(17)18/h2-8,16H,1H3,(H,17,18) 
  InChIKey: KAERBVZTGPZZHW-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 21, Pg. 10, 1948.
mouse LD50 oral 450mg/kg (450mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 21, Pg. 10, 1948.
mouse LD50 subcutaneous 250mg/kg (250mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 21, Pg. 10, 1948.

Safety Profile

Poison by subcutaneous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx.

Specification

 4-Chloro-N-(p-methoxyphenyl)anthranilic acid , its CAS NO. is 91-38-3, the synonyms are 3-14-00-00957 (Beilstein Handbook Reference) ; 5-Chloro-4-methoxydiphenylamine-2-carboxylic acid ; BRN 2748016 ; EINECS 202-065-2 ; NSC 41150 ; 4-Chloro-2-(4-methoxyphenyl)anthranilic acid ; Anthranilic acid, 4-chloro-N-(p-methoxyphenyl)- ; Benzoic acid, 4-chloro-2-((4-methoxyphenyl)amino)- (9CI) .