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CAS No.: | 21886-56-6 |
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Name: | 2,3'-Dichloroacetophenone |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C8H6Cl2O |
Molecular Weight: | 189.041 |
Synonyms: | Acetophenone,2,3'-dichloro- (7CI,8CI);2-Chloro-1-(3-chlorophenyl)-1-ethanone;m-Chlorophenacylchloride;2-Chloro-1-(3-chlorophenyl)ethanone;2'-Chloro-3-chloroacetophenone;3-Chlorophenacyl chloride; |
Density: | 1.31 g/cm3 |
Boiling Point: | 283.7 °C at 760 mmHg |
Flash Point: | 118.2 °C |
Hazard Symbols: | C |
PSA: | 17.07000 |
LogP: | 2.76150 |
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The Ethanone,2-chloro-1-(3-chlorophenyl)-, with CAS registry number 21886-56-6, has the systematic name of 2-chloro-1-(3-chlorophenyl)ethanone. Besides this, it is also called 2,3'-Dichloroacetophenone. And the chemical formula of this chemical is C8H6Cl2O.
Physical properties of Ethanone,2-chloro-1-(3-chlorophenyl)-: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.49; (6)ACD/BCF (pH 7.4): 65.49; (7)ACD/KOC (pH 5.5): 694.45; (8)ACD/KOC (pH 7.4): 694.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 46.02 cm3; (15)Molar Volume: 144.2 cm3; (16)Polarizability: 18.24×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 118.2 °C; (20)Enthalpy of Vaporization: 52.26 kJ/mol; (21)Boiling Point: 283.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00311 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(Cl)ccc1)CCl
(2)InChI: InChI=1/C8H6Cl2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2
(3)InChIKey: AVUVSYIYUADCKE-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H6Cl2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2
(5)Std. InChIKey: AVUVSYIYUADCKE-UHFFFAOYSA-N