Acetamide,N-(3-chlorophenyl)-2-cyano- supplier

Name
N-(3-CHLORO-PHENYL)-2-CYANO-ACETAMIDE
EINECS
CAS No. 17722-12-2
Article Data11
CAS DataBase
Density 1.348 g/cm³
Solubility
Melting Point
Formula C₉H₇ClN₂O
Boiling Point 423.3 °C at 760 mmHg
Molecular Weight 194.62
Flash Point 209.8 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Acetanilide,3'-chloro-2-cyano- (7CI,8CI);3'-Chloro-2-cyanoacetanilide;Cyanoacetic acid3-chloroanilide;N-(3-Chlorophenyl)cyanoacetamide;
PSA 52.89000
LogP 2.26518

Acetamide,N-(3-chlorophenyl)-2-cyano- Specification

The Acetamide,N-(3-chlorophenyl)-2-cyano-, with the CAS registry number 17722-12-2, has the systematic name and IUPAC name of N-(3-chlorophenyl)-2-cyanoacetamide. It is a kind of irritant chemical, and the molecular formula of the chemical is C₉H₇ClN₂O.

The characteristics of Acetamide,N-(3-chlorophenyl)-2-cyano- are as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.73; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.1 Å²; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 49.96 cm³; (14)Molar Volume: 144.3 cm³; (15)Polarizability: 19.8×10^-24cm³; (16)Surface Tension: 56 dyne/cm; (17)Density: 1.348 g/cm³; (18)Flash Point: 209.8 °C; (19)Enthalpy of Vaporization: 67.77 kJ/mol; (20)Boiling Point: 423.3 °C at 760 mmHg; (21)Vapour Pressure: 2.25E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(NC(=O)CC#N)ccc1
(2)InChI: InChI=1/C9H7ClN2O/c10-7-2-1-3-8(6-7)12-9(13)4-5-11/h1-3,6H,4H2,(H,12,13)
(3)InChIKey: JHGKLDZJAHYJIP-UHFFFAOYAO

Product Name

N-(3-CHLORO-PHENYL)-2-CYANO-ACETAMIDE

Acetamide,N-(3-chlorophenyl)-2-cyano- Specification

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