CAS No.37148-47-3,Ethanone,1-(4-amino-3,5-dichlorophenyl)-2-bromo- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37148-47-3
Name:	Ethanone,1-(4-amino-3,5-dichlorophenyl)-2-bromo-

Formula:	C₈H₆BrCl₂NO
Molecular Weight:	282.95
Synonyms:	1-(4-Amino-3,5-dichlorophenyl)-2-bromoethanone;4-Amino-w-bromo-3,5-dichloroacetophenone;
EINECS:	253-367-6
Density:	1.764 g/cm³
Melting Point:	142-145 °C
Boiling Point:	396.4 °C at 760 mmHg
Flash Point:	193.6 °C
Solubility:
Appearance:	Yellow solid
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA:	43.09000
LogP:	3.73440

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Specification

The Ethanone,1-(4-amino-3,5-dichlorophenyl)-2-bromo-, with the CAS registry number 37148-47-3 and EINECS registry number 253-367-6, has the systematic name of 1-(4-amino-3,5-dichlorophenyl)-2-bromoethanone. It is a kind of yellow solid, and belongs to the following product categories: Aromatics Compounds; Aromatics. And the molecular formula of the chemical is C₈H₆BrCl₂NO.

The characteristics of Ethanone,1-(4-amino-3,5-dichlorophenyl)-2-bromo- are as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 223.64; (6)ACD/BCF (pH 7.4): 223.64; (7)ACD/KOC (pH 5.5): 1672.69; (8)ACD/KOC (pH 7.4): 1672.69; (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: 1.643; (14)Molar Refractivity: 58.03 cm³; (15)Molar Volume: 160.3 cm³; (16)Polarizability: 23×10^-24cm³; (17)Surface Tension: 57.8 dyne/cm; (18)Density: 1.764 g/cm³; (19)Flash Point: 193.6 °C; (20)Enthalpy of Vaporization: 64.67 kJ/mol; (21)Boiling Point: 396.4 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-06 mmHg at 25°C.

Uses of Ethanone,1-(4-amino-3,5-dichlorophenyl)-2-bromo-: It can react with 2-amino-benzoic acid to produce 2-amino-benzoic acid 2-(4-amino-3,5-dichloro-phenyl)-2-oxo-ethyl ester. This reaction will need reagent NaHCO₃, and the menstruum dimethylformamide. And the yield is about 79%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1N)C(=O)CBr
(2)InChI: InChI=1/C8H6BrCl2NO/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2H,3,12H2
(3)InChIKey: ATKJJUFAWYSFID-UHFFFAOYAL