Ethanone,1-(3-amino-4-chlorophenyl)- supplier

Name
1-(3-AMINO-4-CHLOROPHENYL)ETHAN-1-ONE
EINECS
CAS No. 79406-57-8
Article Data12
CAS DataBase
Density 1.254 g/cm³
Solubility
Melting Point 107 °C
Formula C₈H₈ClNO
Boiling Point 322.4 °C at 760 mmHg
Molecular Weight 169.611
Flash Point 148.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,3'-amino-4'-chloro- (7CI);3-Amino-4-chloroacetophenone;
PSA
LogP

Ethanone,1-(3-amino-4-chlorophenyl)- Specification

The Ethanone,1-(3-amino-4-chlorophenyl)-, with the CAS registry number 79406-57-8, is also known as Acetophenone,3'-amino-4'-chloro- (7CI). It belongs to the product categories of Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C₈H₈ClNO and molecular weight is 169.61. What's more, its systematic name is 1-(3-Amino-4-chlorophenyl)ethanone.

Physical properties about Ethanone,1-(3-amino-4-chlorophenyl)-: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.68; (6)ACD/BCF (pH 7.4): 12.68; (7)ACD/KOC (pH 5.5): 214.4; (8)ACD/KOC (pH 7.4): 214.42; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 45.41 cm³; (15)Molar Volume: 135.1 cm³; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.254 g/cm³; (18)Flash Point: 148.8 °C; (19)Enthalpy of Vaporization: 56.43 kJ/mol; (20)Boiling Point: 322.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000279 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(C(=O)C)cc1N
(2) InChI: InChI=1/C8H8ClNO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3
(3) InChIKey: CELXPDXOZXEXJX-UHFFFAOYAV

Product Name

1-(3-AMINO-4-CHLOROPHENYL)ETHAN-1-ONE

Ethanone,1-(3-amino-4-chlorophenyl)- Specification

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