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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 | 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 |
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