Basic information
- Name:
1-Propanone,2-bromo-1-(3-chlorophenyl)-
- Superlist Name:
- 2-Bromo-3'-chloropropiophenone
- CAS No.:
34911-51-8
- Molecular Structure:
- Formula:
- C9H8BrClO
- Molecular Weight:
- 247.52
- Synonyms:
- Propiophenone,2-bromo-3'-chloro- (7CI);2-Bromo-1-(3-chlorophenyl)propan-1-one;2-Bromo-3'-chloropropiophenone;a-Bromo-3-chloropropiophenone;a-Bromo-m-chloropropiophenone;
- EINECS:
- 252-282-1
- Density:
- 1.518 g/cm3
- Boiling Point:
- 295 °C at 760 mmHg
- Flash Point:
- 132.2 °C
- Solubility:
- Acetonitrile, Chloroform, Dichloromethane, Ethyl Acetate
- Appearance:
- Yellow to brown colored liquid
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Specification
The 2-Bromo-3'-chloropropiophenone, with CAS registry number 34911-51-8, belongs to the following product category: Aromatics. It has the systematic name of 2-bromo-1-(3-chlorophenyl)propan-1-one. And this chemical is a kind of yellow to brown colored liquid. The chemical formula of this chemical is C9H8BrClO. What's more, its EINECS is 252-282-1.
Physical properties of 2-Bromo-3'-chloropropiophenone: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.57; (8)Molar Refractivity: 53.49 cm3; (9)Molar Volume: 162.9 cm3; (10)Polarizability: 21.2×10-24cm3; (11)Surface Tension: 43.1 dyne/cm; (12)Enthalpy of Vaporization: 53.47 kJ/mol; (13)Vapour Pressure: 0.00157 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(Cl)ccc1)C(Br)C
(2)InChI: InChI=1/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3
(3)InChIKey: OFNMQTRHMBQQEA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3
(5)Std. InChIKey: OFNMQTRHMBQQEA-UHFFFAOYSA-N
