2-(3-Carboxyanilino)-3-nitrobenzoic acid supplier

Name
2-[(3-carboxyphenyl)amino]-3-nitrobenzoic acid
EINECS
CAS No. 35875-16-2
Article Data2
CAS DataBase
Density 1.571 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₀N₂O₆
Boiling Point 526.1 °C at 760 mmHg
Molecular Weight 302.243
Flash Point 272 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(3-Carboxyanilino)-3-nitrobenzoicacid;NSC 696047;
PSA
LogP

2-(3-Carboxyanilino)-3-nitrobenzoic acid Specification

The Benzoic acid, 2-[(3-carboxyphenyl)amino]-3-nitro-, with the CAS registry number 35875-16-2, is also known as NSC 696047. This chemical's molecular formula is C₁₄H₁₀N₂O₆ and molecular weight is 302.24. What's more, its IUPAC name is 2-(3-Carboxyanilino)-3-nitrobenzoic acid.

Physical properties about Benzoic acid, 2-[(3-carboxyphenyl)amino]-3-nitro- are: (1)ACD/LogP: 5.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.62; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 101.66 Å²; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 76.03 cm³; (15)Molar Volume: 192.3 cm³; (16)Polarizability: 30.14×10^-24 cm³; (17)Surface Tension: 82.8 dyne/cm; (18)Density: 1.571 g/cm³; (19)Flash Point: 272 °C; (20)Enthalpy of Vaporization: 84.26 kJ/mol; (21)Boiling Point: 526.1 °C at 760 mmHg; (22)Vapour Pressure: 6.72E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cc(ccc1)Nc2c(cccc2[N+]([O-])=O)C(O)=O
(2) InChI: InChI=1/C14H10N2O6/c17-13(18)8-3-1-4-9(7-8)15-12-10(14(19)20)5-2-6-11(12)16(21)22/h1-7,15H,(H,17,18)(H,19,20)
(3) InChIKey: OADNRDRCKJFASV-UHFFFAOYAP

Product Name

2-[(3-carboxyphenyl)amino]-3-nitrobenzoic acid

2-(3-Carboxyanilino)-3-nitrobenzoic acid Specification

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