CAS No.345-94-8,2-bromo-1-(4-fluorophenyl)propan-1-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	345-94-8
Name:	2-bromo-1-(4-fluorophenyl)propan-1-one
Article Data:	19

Formula:	C₉H₈BrFO
Molecular Weight:	231.064
Synonyms:	2-bromo-1-(4-fluorophenyl)propan-1-one;
EINECS:	609-004-2
Density:	1.488 g/cm³
Boiling Point:	260.8 °C at 760 mmHg
Flash Point:	111.5 °C
PSA:	17.07000
LogP:	2.79180

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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