3-Fluoro-4-bromobenzyl bromide supplier

Name
3-Fluoro-4-bromobenzyl bromide
EINECS
CAS No. 127425-73-4
Article Data21
CAS DataBase
Density 1.923g/cm³
Solubility
Melting Point 33-36℃
Formula C₇H₅Br₂F
Boiling Point 259.8 °C at 760 mmHg
Molecular Weight 267.923
Flash Point 110.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-3-fluorobenzyl bromide;
PSA 0.00000
LogP 3.48310

3-Fluoro-4-bromobenzyl bromide Specification

The 3-Fluoro-4-bromobenzyl bromide, with CAS registry number 127425-73-4, has the systematic name of 2-bromo-4-(bromomethyl)-1-fluorobenzene. Beside this, it is also called Benzene, 2-bromo-4-(bromomethyl)-1-fluoro-. And the chemical formula of this chemical is C₇H₅Br₂F.

Physical properties of 3-Fluoro-4-bromobenzyl bromide: (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^-24cm³; (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
(4)Std. InChI: InChI=1S/C7H5Br2F/c8-4-5-1-2-7(10)6(9)3-5/h1-3H,4H2
(5)Std. InChIKey: ZRWSODQPUJMFRV-UHFFFAOYSA-N

Product Name

3-Fluoro-4-bromobenzyl bromide

3-Fluoro-4-bromobenzyl bromide Specification

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