Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Bromo-5-fluorobenzylbromide |
EINECS | N/A |
CAS No. | 216755-57-6 | Density | 1.923 g/cm3 |
PSA | 0.00000 | LogP | 3.48310 |
Solubility | Slightly soluble in water (2.9 g/L) (25°C). | Melting Point |
47 °C |
Formula | C7H5Br2F | Boiling Point | 251.129 °C at 760 mmHg |
Molecular Weight | 267.923 | Flash Point | 105.679 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
3-Bromo-5-fluorobenzyl bromide 98%; |
Article Data | 8 |
The Benzene,1-bromo-3-(bromomethyl)-5-fluoro-, with the CAS registry number of 216755-57-6, is also known as 3-Bromo-5-fluorobenzyl bromide 98%. This chemical's molecular formula is C7H5Br2F and molecular weight is 267.92. What's more, its IUPAC name is 1-Bromo-3-(bromomethyl)-5-fluorobenzene.
Physical properties about the Benzene,1-bromo-3-(bromomethyl)-5-fluoro- are: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 404; (6)ACD/BCF (pH 7.4): 404; (7)ACD/KOC (pH 5.5): 2556; (8)ACD/KOC (pH 7.4): 2556; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 46.585 cm3; (15)Molar Volume: 139.32 cm3; (16)Surface Tension: 41.609 dyne/cm; (17)Density: 1.923 g/cm3; (18)Flash Point: 105.679 °C; (19)Enthalpy of Vaporization: 46.867 kJ/mol; (20)Boiling Point: 251.129 °C at 760 mmHg; (21)Vapour Pressure: 0.033 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(CBr)cc(Br)c1
(2) InChI: InChI=1/C7H5Br2F/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
(3) InChIKey: DAUWIPUGOIFZNF-UHFFFAOYAH