CAS No.65130-46-3,1-(2-BROMOETHYL)-4-FLUOROBENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	65130-46-3
Name:	1-(2-BROMOETHYL)-4-FLUOROBENZENE
Article Data:	13

Formula:	C₈H₈BrF
Molecular Weight:	203.054
Synonyms:	1-(1-Bromoethyl)-4-fluorobenzene;1-(4-Fluorophenyl)ethyl bromide;1-Bromo-1-(4-fluorophenyl)ethane;4-Fluorophenethyl bromide;
Density:	1.454 g/cm³
Boiling Point:	209.6 °C at 760 mmHg
Flash Point:	83.3 °C
Hazard Symbols:	Xn,N
Risk Codes:	22-51/53
Safety:	61
PSA:	0.00000
LogP:	2.76310

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Specification

The systematic name of 4-Fluorophenethyl bromide is 1-(2-bromoethyl)-4-fluorobenzene. With the CAS registry number 65130-46-3, it is also named as Benzene,1-(1-bromoethyl)-4-fluoro-. In addition, its molecular formula is C₈H₈BrF and its molecular weight is 203.05.

The other characteristics of 4-Fluorophenethyl bromide can be summarized as: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 143.54; (6)ACD/BCF (pH 7.4): 143.54; (7)ACD/KOC (pH 5.5): 1217.76; (8)ACD/KOC (pH 7.4): 1217.76; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 43.52 cm³; (15)Molar Volume: 139.6 cm³; (16)Polarizability: 17.25×10^-24cm³; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.454 g/cm³; (19)Flash Point: 83.3 °C; (20)Enthalpy of Vaporization: 42.77 kJ/mol; (21)Boiling Point: 209.6 °C at 760 mmHg; (22)Vapour Pressure: 0.29 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. It is also toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. You should avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1ccc(cc1)CCBr
(2)InChI: InChI=1/C8H8BrF/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
(3)InChIKey: FLRUNCJXOVYWDH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H8BrF/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
(5)Std. InChIKey: FLRUNCJXOVYWDH-UHFFFAOYSA-N