3'-Chloro-2'-fluoroacetophenone supplier

Name
3'-CHLORO-2'-FLUOROACETOPHENONE
EINECS
CAS No. 161957-59-1
Article Data2
CAS DataBase
Density 1.259 g/cm³
Solubility
Melting Point
Formula C₈H₆ClFO
Boiling Point 239.301 °C at 760 mmHg
Molecular Weight 172.586
Flash Point 98.526 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(3-Chloro-2-fluorophenyl)ethanone;
PSA 17.07000
LogP 2.68170

3'-Chloro-2'-fluoroacetophenone Specification

The 3'-Chloro-2'-fluoroacetophenone is an organic compound with the formula C₈H₆ClFO. The IUPAC name of this chemical is 1-(3-chloro-2-fluorophenyl)ethanone. With the CAS registry number 161957-59-1, it is also named as 1-acetyl-3-chloro-2-fluorobenzene.

Physical properties about 3'-Chloro-2'-fluoroacetophenone are: (1)ACD/LogP: 2.39; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 30; (5)ACD/BCF (pH 7.4): 30; (6)ACD/KOC (pH 5.5): 399; (7)ACD/KOC (pH 7.4): 399; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.512; (12)Molar Refractivity: 41.17 cm³; (13)Molar Volume: 137.124 cm³; (14)Polarizability: 16.321×10^-24cm³; (15)Surface Tension: 35.814 dyne/cm; (16)Density: 1.259 g/cm³; (17)Flash Point: 98.526 °C; (18)Enthalpy of Vaporization: 47.618 kJ/mol; (19)Boiling Point: 239.301 °C at 760 mmHg; (20)Vapour Pressure: 0.04 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C(=O)C)cccc1Cl
(2)InChI: InChI=1/C8H6ClFO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3
(3)InChIKey: ZHDLNEIXOUIAQO-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H6ClFO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3
(5)Std. InChIKey: ZHDLNEIXOUIAQO-UHFFFAOYSA-N

Product Name

3'-CHLORO-2'-FLUOROACETOPHENONE

3'-Chloro-2'-fluoroacetophenone Specification

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