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2-Chloro-3-fluorobenzyl bromide

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Name

2-Chloro-3-fluorobenzyl bromide

EINECS N/A
CAS No. 874285-19-5 Density 1.654 g/cm3
PSA 0.00000 LogP 3.37400
Solubility N/A Melting Point N/A
Formula C7H5BrClF Boiling Point 227.1 °C at 760 mmHg
Molecular Weight 223.472 Flash Point 91.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 874285-19-5 (2-Chloro-3-fluorobenzyl bromide) Hazard Symbols N/A
Synonyms

1-(bromomethyl)-2-chloro-3-fluoro-benzene;2-Chloro-3-fluorobenzylbromide;benzene, 1-(bromomethyl)-2-chloro-3-fluoro-;

Article Data 2

2-Chloro-3-fluorobenzyl bromide Specification

The 2-Chloro-3-fluorobenzyl bromide, with the CAS registry number 874285-19-5, has the systematic name of 1-(bromomethyl)-2-chloro-3-fluoro-benzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H5BrClF.

The characteristics of 2-Chloro-3-fluorobenzyl bromide are as followings: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 3.68; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: Å2; (9)Index of Refraction: 1.561; (10)Molar Refractivity: 43.78 cm3; (11)Molar Volume: 135 cm3; (12)Polarizability: 17.35×10-24cm3; (13)Surface Tension: 39.7 dyne/cm; (14)Density: 1.654 g/cm3; (15)Flash Point: 91.1 °C; (16)Enthalpy of Vaporization: 44.48 kJ/mol; (17)Boiling Point: 227.1 °C at 760 mmHg; (18)Vapour Pressure: 0.119 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(c(c(c1)F)Cl)CBr
(2)InChI: InChI=1/C7H5BrClF/c8-4-5-2-1-3-6(10)7(5)9/h1-3H,4H2
(3)InChIKey: AQQPRCFCKCXWGZ-UHFFFAOYAA

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