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7644-03-3

Basic Information
CAS No.: 7644-03-3
Name: 2-Amino-4'-chloroacetophenone
Article Data: 2
Molecular Structure:
Molecular Structure of 7644-03-3 (2-Amino-4'-chloroacetophenone)
Formula: C8H8ClNO
Molecular Weight: 169.611
Synonyms: Acetophenone,2-amino-4'-chloro- (8CI);2-Amino-1-(4-chlorophenyl)ethanone;2-Amino-4'-chloroacetophenone;a-Amino-p-chloroacetophenone;ethanone, 2-amino-1-(4-chlorophenyl)-;
Density: 1.241 g/cm3
Boiling Point: 301.6 °C at 760 mmHg
Flash Point: 136.2 °C
PSA: 43.09000
LogP: 2.18170
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Specification

The 2-Amino-4'-chloroacetophenone, with the CAS registry number 7644-03-3, has the systematic name of 2-amino-1-(4-chlorophenyl)ethanone. And the molecular formula of the chemical is C8H8ClNO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.44; (7)ACD/KOC (pH 5.5): 7.34; (8)ACD/KOC (pH 7.4): 123.72; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 44.71 cm3; (15)Molar Volume: 136.5 cm3; (16)Polarizability: 17.72×10-24cm3; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.241 g/cm3; (19)Flash Point: 136.2 °C; (20)Enthalpy of Vaporization: 54.17 kJ/mol; (21)Boiling Point: 301.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00104 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)CN
(2)InChI: InChI=1/C8H8ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
(3)InChIKey: KIFWACLIANOVDG-UHFFFAOYAC