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Benzamide,N-(2-chloro-3-pyridinyl)-2-nitro-

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Name

Benzamide,N-(2-chloro-3-pyridinyl)-2-nitro-

EINECS 213-843-6
CAS No. 1028-86-0 Density 1.498 g/cm3
Solubility Melting Point
Formula C12H8ClN3O3 Boiling Point 377.7 °C at 760 mmHg
Molecular Weight 277.66 Flash Point 182.2 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 1028-86-0 (Benzamide,N-(2-chloro-3-pyridinyl)-2-nitro-) Hazard Symbols
Synonyms

Benzamide,N-(2-chloro-3-pyridyl)-o-nitro- (8CI);Pyridine, 2-chloro-3-(o-nitrobenzamido)-(7CI);N-(2-Chloro-3-pyridyl)-o-nitrobenzamide;2-Chloro-3-(2-nitrobenzamido)pyridine;

 

Benzamide,N-(2-chloro-3-pyridinyl)-2-nitro- Specification

The Benzamide,N-(2-chloro-3-pyridinyl)-2-nitro-, with the CAS registry number 1028-86-0, is also known as 2-Chloro-3-(2-nitrobenzamido)pyridine. It belongs to the product category of Pharmacetical. Its EINECS registry number is 213-843-6. This chemical's molecular formula is C12H8ClN3O3 and molecular weight is 277.66. What's more, both its IUPAC name and systematic name are the same which is called N-(2-Chloropyridin-3-yl)-2-nitrobenzamide.

Physical properties about Benzamide,N-(2-chloro-3-pyridinyl)-2-nitro- are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.82; (6)ACD/BCF (pH 7.4): 5.82; (7)ACD/KOC (pH 5.5): 122.77; (8)ACD/KOC (pH 7.4): 122.74; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 79.02 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 70.36 cm3; (15)Molar Volume: 185.3 cm3; (16)Polarizability: 27.89×10-24 cm3; (17)Surface Tension: 68.1 dyne/cm; (18)Density: 1.498 g/cm3; (19)Flash Point: 182.2 °C; (20)Enthalpy of Vaporization: 62.55 kJ/mol; (21)Boiling Point: 377.7 °C at 760 mmHg; (22)Vapour Pressure: 6.62E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncccc2NC(=O)c1ccccc1[N+]([O-])=O
(2)InChI: InChI=1/C12H8ClN3O3/c13-11-9(5-3-7-14-11)15-12(17)8-4-1-2-6-10(8)16(18)19/h1-7H,(H,15,17)
(3)InChIKey: JZEBEDCRJXPXIC-UHFFFAOYAW

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