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CAS No.: | 252561-81-2 |
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Name: | 2-Chloro-4-bromoacetophenone |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H6BrClO |
Molecular Weight: | 233.492 |
Synonyms: | 1-(4-Bromo-2-chlorophenyl)ethanone;4'-Bromo-2'-chloroacetophenone; |
Density: | 1.566 g/cm3 |
Boiling Point: | 265.602 °C at 760 mmHg |
Flash Point: | 114.433 °C |
Hazard Symbols: | Xn |
PSA: | 17.07000 |
LogP: | 3.30510 |
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This chemical is called Ethanone, 1-(4-bromo-2-chlorophenyl)-, and its systematic name is 1-(4-bromo-2-chlorophenyl)ethanone. With the molecular formula of C8H6BrClO, its molecular weight is 233.49. The CAS registry number of this chemical is 252561-81-2. Additionally, its product categories are Adehydes, Acetals & Ketones; Bromine Compounds; Chlorine Compounds.
Other characteristics of the Ethanone, 1-(4-bromo-2-chlorophenyl)- can be summarised as followings: (1)ACD/LogP: 3.11; (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): 80; (6)ACD/BCF (pH 7.4): 80; (7)ACD/KOC (pH 5.5): 800; (8)ACD/KOC (pH 7.4): 800; (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)Polarizability: 19.372×10-24cm3; (17)Surface Tension: 41.671 dyne/cm; (18)Density: 1.566 g/cm3; (19)Flash Point: 114.433 °C; (20)Enthalpy of Vaporization: 50.354 kJ/mol; (21)Boiling Point: 265.602 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(C)c1ccc(Br)cc1Cl
2.InChI: InChI=1/C8H6BrClO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
3.InChIKey: QYKIWOVJASCUBH-UHFFFAOYAZ