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Name |
Acetamide,N-(3-chlorophenyl)-2-cyano- |
EINECS | N/A |
CAS No. | 17722-12-2 | Density | 1.348 g/cm3 |
PSA | 52.89000 | LogP | 2.26518 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7ClN2O | Boiling Point | 423.3 °C at 760 mmHg |
Molecular Weight | 194.62 | Flash Point | 209.8 °C |
Transport Information | N/A | Appearance | N/A |
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; |
Article Data | 11 |
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