1-Propanone, 2-bromo-1-(4-fluorophenyl)- supplier

Name
2-bromo-1-(4-fluorophenyl)propan-1-one
EINECS 609-004-2
CAS No. 345-94-8
Article Data19
CAS DataBase
Density 1.488 g/cm³
Solubility
Melting Point
Formula C₉H₈BrFO
Boiling Point 260.8 °C at 760 mmHg
Molecular Weight 231.064
Flash Point 111.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-bromo-1-(4-fluorophenyl)propan-1-one;
PSA 17.07000
LogP 2.79180

1-Propanone, 2-bromo-1-(4-fluorophenyl)- Specification

The 1-Propanone, 2-bromo-1-(4-fluorophenyl)- is an organic compound with the formula C₉H₈BrFO. It belongs to the product category of Benzimidazole. With the CAS registry number 345-94-8, its systematic name is 2-bromo-1-(4-fluorophenyl)propan-1-one.

Physical properties of 1-Propanone, 2-bromo-1-(4-fluorophenyl)-: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 2.59; (3)ACD/LogD (pH 7.4): 2.59; (4)ACD/BCF (pH 5.5): 55.01; (5)ACD/BCF (pH 7.4): 55.01; (6)ACD/KOC (pH 5.5): 612.91; (7)ACD/KOC (pH 7.4): 612.91; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.538; (11)Molar Refractivity: 48.59 cm³; (12)Molar Volume: 155.2 cm³; (13)Surface Tension: 39.3 dyne/cm; (14)Density: 1.488 g/cm³; (15)Flash Point: 111.5 °C; (16)Enthalpy of Vaporization: 49.85 kJ/mol; (17)Boiling Point: 260.8 °C at 760 mmHg; (18)Vapour Pressure: 0.012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(F)cc1)C(Br)C
(2)InChI: InChI=1/C9H8BrFO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3
(3)InChIKey: QKHHCXOSPQAQQI-UHFFFAOYA

Product Name

2-bromo-1-(4-fluorophenyl)propan-1-one

1-Propanone, 2-bromo-1-(4-fluorophenyl)- Specification

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