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17332-57-9

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Basic Information
CAS No.: 17332-57-9
Name: 2,4'-IMINO-DIBENZOIC ACID
Article Data: 19
Molecular Structure:
Molecular Structure of 17332-57-9 (2,4'-IMINO-DIBENZOIC ACID)
Formula: C14H11NO4
Molecular Weight: 257.246
Synonyms: Benzoicacid, 2,4'-iminodi- (6CI,8CI);2,4'-Dicarboxydiphenylamine;2-(4-Carboxyanilino)benzoic acid;N-(4-Carboxyphenyl)anthranilic acid;N-(p-Carboxyphenyl)anthranilic acid;
Density: 1.424 g/cm3
Boiling Point: 490.2 °C at 760 mmHg
Flash Point: 250.3 °C
PSA: 86.63000
LogP: 2.89960
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Specification

The Benzoic acid, 2-[(4-carboxyphenyl)amino]-, with the CAS registry number 17332-57-9, is also known as 2, 4'-Imino-dibenzoic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C14H11NO4 and molecular weight is 257.24. What's more, its IUPAC name is 2-(4-Carboxyanilino)benzoic acid. In addition, this chemical's classification code is Drug / Therapeutic Agent.

Physical properties about Benzoic acid, 2-[(4-carboxyphenyl)amino]- are: (1)ACD/LogP: 4.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 2.97; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.7; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 69.48 cm3; (15)Molar Volume: 180.5 cm3; (16)Polarizability: 27.54×10-24 cm3; (17)Surface Tension: 71.4 dyne/cm; (18)Density: 1.424 g/cm3; (19)Flash Point: 250.3 °C; (20)Enthalpy of Vaporization: 79.69 kJ/mol; (21)Boiling Point: 490.2 °C at 760 mmHg; (22)Vapour Pressure: 2E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccc(cc1)Nc2ccccc2C(=O)O
(2) InChI: InChI=1/C14H11NO4/c16-13(17)9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
(3) InChIKey: GWHPRNJPEJWLMA-UHFFFAOYAV

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 400mg/kg (400mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 392, 1969.
rat LD50 intraperitoneal 691mg/kg (691mg/kg)   Farmaco, Edizione Scientifica. Vol. 23, Pg. 502, 1968.