2-(Diphenylamino)benzoic acid supplier

Name
2-(Diphenylamino)benzoic acid
EINECS
CAS No. 17626-44-7
Article Data10
CAS DataBase
Density 1.241 g/cm³
Solubility
Melting Point
Formula C₁₉H₁₅NO₂
Boiling Point 454.9 °C at 760 mmHg
Molecular Weight 289.334
Flash Point 228.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 2-(diphenylamino)-;
PSA 40.54000
LogP 4.85460

2-(Diphenylamino)benzoic acid Specification

The 2-(Diphenylamino)benzoic acid, with the CAS registry number 17626-44-7, is also known as Benzoic acid, 2-(diphenylamino)-. This chemical's molecular formula is C₁₉H₁₅NO₂ and molecular weight is 289.3279. Its IUPAC name is called 2-(N-phenylanilino)benzoic acid.

Physical properties of 2-(Diphenylamino)benzoic acid: (1)ACD/LogP: 5.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 116.61; (6)ACD/BCF (pH 7.4): 5.36; (7)ACD/KOC (pH 5.5): 350.64; (8)ACD/KOC (pH 7.4): 16.11; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 87.02 cm³; (14)Molar Volume: 233.1 cm³; (15)Surface Tension: 56.9 dyne/cm; (16)Density: 1.241 g/cm³; (17)Flash Point: 228.9 °C; (18)Enthalpy of Vaporization: 75.29 kJ/mol; (19)Boiling Point: 454.9 °C at 760 mmHg; (20)Vapour Pressure: 4.59E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O
(2)InChI: InChI=1S/C19H15NO2/c21-19(22)17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,21,22)
(3)InChIKey: ZEGFMCQPAMLDCS-UHFFFAOYSA-N

Product Name

2-(Diphenylamino)benzoic acid

2-(Diphenylamino)benzoic acid Specification

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