CAS No.92821-83-5,2-bromo-3-fluoropropiophenone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	92821-83-5
Name:	2-bromo-3-fluoropropiophenone
Article Data:	8

Formula:	C₉H₈BrFO
Molecular Weight:	231.064
Synonyms:	1-propanone, 2-bromo-1-(3-fluorophenyl)-;2-bromo-1-(3-fluorophenyl)propan-1-one;
Density:	1.488 g/cm³
Boiling Point:	255 °C at 760 mmHg
Flash Point:	108 °C
PSA:	17.07000
LogP:	2.79180

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Specification

The 1-Propanone,2-bromo-1-(3-fluorophenyl)-, with the CAS registry number 92821-83-5, has the systematic name of 2-bromo-1-(3-fluorophenyl)propan-1-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₈BrFO.

The characteristics of 1-Propanone,2-bromo-1-(3-fluorophenyl)- are as followings: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 59.68; (6)ACD/BCF (pH 7.4): 59.68; (7)ACD/KOC (pH 5.5): 649.79; (8)ACD/KOC (pH 7.4): 649.79; (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: 1.538; (14)Molar Refractivity: 48.59 cm³; (15)Molar Volume: 155.2 cm³; (16)Polarizability: 19.26×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.488 g/cm³; (19)Flash Point: 108 °C; (20)Enthalpy of Vaporization: 49.24 kJ/mol; (21)Boiling Point: 255 °C at 760 mmHg; (22)Vapour Pressure: 0.0168 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1cc(F)ccc1)C(Br)C
(2)InChI: InChI=1/C9H8BrFO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3
(3)InChIKey: FUWLUTOKEUZKCM-UHFFFAOYAD