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CAS No.: | 99725-12-9 |
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Name: | 2-Fluoro-5-bromobenzyl bromide |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C7H5Br2F |
Molecular Weight: | 267.923 |
Synonyms: | 2-Fluoro-5-bromobenzylbromide;4-Bromo-2-(bromomethyl)-1-fluorobenzene;5-Bromo-2-fluorobenzylbromide; |
Density: | 1.923 g/cm3 |
Boiling Point: | 253.411 °C at 760 mmHg |
Flash Point: | 107.06 °C |
PSA: | 0.00000 |
LogP: | 3.48310 |
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The 2-Fluoro-5-bromobenzyl bromide is an organic compound with the formula C7H5Br2F. The IUPAC name of this chemical is 4-bromo-2-(bromomethyl)-1-fluorobenzene. With the CAS registry number 99725-12-9, it is also named as benzene, 4-bromo-2-(bromomethyl)-1-fluoro-. The product's category is Benzyl.
Physical properties about 2-Fluoro-5-bromobenzyl bromide are: (1)ACD/LogP: 3.50; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 367; (5)ACD/BCF (pH 7.4): 367; (6)ACD/KOC (pH 5.5): 2384; (7)ACD/KOC (pH 7.4): 2384; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.583; (10)Molar Refractivity: 46.585 cm3; (11)Molar Volume: 139.32 cm3; (12)Polarizability: 18.468×10-24cm3; (13)Surface Tension: 41.609 dyne/cm; (14)Density: 1.923 g/cm3; (15)Flash Point: 107.06 °C; (16)Enthalpy of Vaporization: 47.096 kJ/mol; (17)Boiling Point: 253.411 °C at 760 mmHg; (18)Vapour Pressure: 0.029 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(Br)cc1CBr
(2)InChI: InChI=1/C7H5Br2F/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
(3)InChIKey: ZLXSSLJXCUISKG-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H5Br2F/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
(5)Std. InChIKey: ZLXSSLJXCUISKG-UHFFFAOYSA-N