Benzoic acid,4-[[(4-nitrophenyl)sulfonyl]amino]- supplier

Name
4-{[(4-nitrophenyl)sulfonyl]amino}benzoic acid
EINECS
CAS No. 63421-71-6
Article Data6
CAS DataBase
Density 1.588 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀N₂O₆S
Boiling Point 564.3 °C at 760 mmHg
Molecular Weight 322.298
Flash Point 295.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(4-Nitrobenzenesulfonylamino)benzoicacid;NSC 68430;4-(4-Nitro-benzenesulfonylamino)-benzoic acid;
PSA
LogP

Benzoic acid,4-[[(4-nitrophenyl)sulfonyl]amino]- Specification

The Benzoic acid,4-[[(4-nitrophenyl)sulfonyl]amino]-, with the CAS registry number 63421-71-6, is also known as 4-(4-Nitro-benzenesulfonylamino)-benzoic acid. This chemical's molecular formula is C₁₃H₁₀N₂O₆S and molecular weight is 322.29. What's more, its systematic name is 4-{[(4-Nitrophenyl)sulfonyl]amino}benzoic acid.

Physical properties of Benzoic acid,4-[[(4-nitrophenyl)sulfonyl]amino]- are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/BCF (pH 5.5): 2.92; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 28.04; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 117.88 Å²; (12)Index of Refraction: 1.674; (13)Molar Refractivity: 76.24 cm³; (14)Molar Volume: 202.9 cm³; (15)Polarizability: 30.22×10^-24cm³; (16)Surface Tension: 77.9 dyne/cm; (17)Density: 1.588 g/cm³; (18)Flash Point: 295.1 °C; (19)Enthalpy of Vaporization: 89.21 kJ/mol; (20)Boiling Point: 564.3 °C at 760 mmHg; (21)Vapour Pressure: 1.43E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc1ccc(cc1)C(=O)O)c2ccc([N+]([O-])=O)cc2
(2)InChI: InChI=1/C13H10N2O6S/c16-13(17)9-1-3-10(4-2-9)14-22(20,21)12-7-5-11(6-8-12)15(18)19/h1-8,14H,(H,16,17)
(3)InChIKey: YMLUDZUNRJGLJJ-UHFFFAOYSA-N

Product Name

4-{[(4-nitrophenyl)sulfonyl]amino}benzoic acid

Benzoic acid,4-[[(4-nitrophenyl)sulfonyl]amino]- Specification

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