3'-Bromo-4'-chloroacetophenone supplier

Name
1-(3-BROMO-4-CHLOROPHENYL)ETHANONE
EINECS
CAS No. 54826-14-1
Article Data8
CAS DataBase
Density 1.566 g/cm³
Solubility
Melting Point
Formula C₈H₆BrClO
Boiling Point 310.282 °C at 760 mmHg
Molecular Weight 233.492
Flash Point 141.454 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,3'-bromo-4'-chloro- (7CI);1-(3-Bromo-4-chlorophenyl)ethanone;3-Bromo-4-chloroacetophenone;3'-Bromo-4'-chloroacetophenone;
PSA 17.07000
LogP 3.30510

3'-Bromo-4'-chloroacetophenone Specification

The Ethanone,1-(3-bromo-4-chlorophenyl)-, with the CAS registry number 54826-14-1, is also known as 3-Bromo-4-chloroacetophenone. This chemical's molecular formula is C₈H₆BrClO and molecular weight is 233.4896. What's more, its system name is 1-(3-Bromo-4-chlorophenyl)ethanone.

Physical properties about Ethanone,1-(3-bromo-4-chlorophenyl)-: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 152; (6)ACD/BCF (pH 7.4): 152; (7)ACD/KOC (pH 5.5): 1266; (8)ACD/KOC (pH 7.4): 1266; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 48.866 cm³; (15)Molar Volume: 149.099 cm³; (16)Surface Tension: 41.671 dyne/cm; (17)Density: 1.566 g/cm³; (18)Flash Point: 141.454 °C; (19)Enthalpy of Vaporization: 55.11 kJ/mol; (20)Boiling Point: 310.282 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1Br)C(C)=O
(2) InChI: InChI=1/C8H6BrClO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3
(3) InChIKey: WLNOSWNYESTEKE-UHFFFAOYAR

Product Name

1-(3-BROMO-4-CHLOROPHENYL)ETHANONE

3'-Bromo-4'-chloroacetophenone Specification

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