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| CAS No.: | 216755-57-6 |
|---|---|
| Name: | 3-Fluoro-5-bromobenzyl bromide |
| Article Data: | 8 |
| Molecular Structure: | |
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|
|
| Formula: | C7H5Br2F |
| Molecular Weight: | 267.923 |
| Synonyms: | 3-Bromo-5-fluorobenzyl bromide 98%; |
| Density: | 1.923 g/cm3 |
| Melting Point: | 47 °C |
| Boiling Point: | 251.129 °C at 760 mmHg |
| Flash Point: | 105.679 °C |
| Solubility: | Slightly soluble in water (2.9 g/L) (25°C). |
| Hazard Symbols: |
 C
|
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 0.00000 |
| LogP: | 3.48310 |
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Specification
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