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CAS 78239-71-1 chemical formula,CAS 78239-71-1 MSDS,CAS 78239-71-1 chemical properties

CAS Number 78239-71-1
chem name Benzene,2-bromo-4-(bromomethyl)-1-fluoro
formula C7H5Br2F
structure
synonyms 3-Bromo-4-fluorobenzyl bromide;2-Bromo-4-(bromomethyl)-1-fluorobenzene;
properties

CAS Number 78239-71-1 properties (MSDS)

Specification

The Benzene, 2-bromo-4-(bromomethyl)-1-fluoro-, with the CAS registry number 78239-71-1, is also known as a, 3-Dibromo-4-fluorotoluene. This chemical's molecular formula is C7H5Br2F and molecular weight is 267.921. What's more, its systematic name is 2-Bromo-4-(bromomethyl)-1-fluorobenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant, moisture, ignition source, alkali. Besides, this chemical is toxic and it may destroy living tissue.

Physical properties about Benzene, 2-bromo-4-(bromomethyl)-1-fluoro- are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.66; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 353.3; (6)ACD/BCF (pH 7.4): 353.3; (7)ACD/KOC (pH 5.5): 2320.42; (8)ACD/KOC (pH 7.4): 2320.42; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 46.58 cm3; (14)Molar Volume: 139.3 cm3; (15)Polarizability: 18.46×10-24 cm3; (16)Surface Tension: 41.6 dyne/cm; (17)Density: 1.923 g/cm3; (18)Flash Point: 110.9 °C; (19)Enthalpy of Vaporization: 47.74 kJ/mol; (20)Boiling Point: 259.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0205 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(CBr)cc1Br
(2) InChI: InChI=1/C7H5Br2F/c8-4-5-1-2-7(10)6(9)3-5/h1-3H,4H2
(3) InChIKey: ZRWSODQPUJMFRV-UHFFFAOYAD