3-Chloro-N-(4-nitrophenyl)benzamide supplier

Name
3-Chloro-N-(4-nitrophenyl)benzamide
EINECS
CAS No. 71267-16-8
Article Data8
CAS DataBase
Density 1.440g/cm³
Solubility
Melting Point
Formula C₁₃H₉ClN₂O₃
Boiling Point 367.5 °C at 760 mmHg
Molecular Weight 276.679
Flash Point 176 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms benzamide, 3-chloro-N-(4-nitrophenyl)-;
PSA 74.92000
LogP 4.09670

3-Chloro-N-(4-nitrophenyl)benzamide Specification

The 3-Chloro-N-(4-nitrophenyl)benzamide with cas registry number of 71267-16-8, has the systematic name of 3-chloro-N-(4-nitrophenyl)benzamide. And it is also named benzamide, 3-chloro-N-(4-nitrophenyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 457.77; (6)ACD/BCF (pH 7.4): 457.75; (7)ACD/KOC (pH 5.5): 2793.14; (8)ACD/KOC (pH 7.4): 2793.03; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.13 Å²; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 72.26 cm³; (15)Molar Volume: 192 cm³; (16)Polarizability: 28.64×10^-24cm³; (17)Surface Tension: 61.6 dyne/cm; (18)Enthalpy of Vaporization: 61.4 kJ/mol; (19)Vapour Pressure: 1.36E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(Cl)ccc1)Nc2ccc([N+]([O-])=O)cc2;
(2)InChI: InChI=1/C13H9ClN2O3/c14-10-3-1-2-9(8-10)13(17)15-11-4-6-12(7-5-11)16(18)19/h1-8H,(H,15,17);
(3)InChIKey: CVTNPYYWMAHISD-UHFFFAOYAN;
(4)Std. InChI: InChI=1S/C13H9ClN2O3/c14-10-3-1-2-9(8-10)13(17)15-11-4-6-12(7-5-11)16(18)19/h1-8H,(H,15,17);
(5)Std. InChIKey: CVTNPYYWMAHISD-UHFFFAOYSA-N

Product Name

3-Chloro-N-(4-nitrophenyl)benzamide

3-Chloro-N-(4-nitrophenyl)benzamide Specification

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