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CAS No.: | 862539-91-1 |
---|---|
Name: | 4-FLUORO-2-METHYLBENZYL BROMIDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H8BrF |
Molecular Weight: | 203.054 |
Synonyms: | 1-(Bromomethyl)-4-fluoro-2-methylbenzene;4-Fluoro-2-methylbenzyl bromide; |
Density: | 1.456 g/cm3 |
Boiling Point: | 221.361 °C at 760 mmHg |
Flash Point: | 90.533 °C |
Solubility: | Insoluble in water. |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Transport Information: | UN 1760 |
PSA: | 0.00000 |
LogP: | 3.02900 |
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The 2-Methyl-4-fluorobenzyl bromide, with the CAS registry number 862539-91-1, is also known as 4-Fluoro-2-methylbenzyl bromide. This chemical's molecular formula is C8H8BrF and molecular weight is 203.05. What's more, its systematic name is 1-(Bromomethyl)-4-fluoro-2-methylbenzene.
Physical properties of 2-Methyl-4-fluorobenzyl bromide are: (1)ACD/LogP: 3.242; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 171.47; (6)ACD/BCF (pH 7.4): 171.47; (7)ACD/KOC (pH 5.5): 1383.05; (8)ACD/KOC (pH 7.4): 1383.05; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 43.72 cm3; (14)Molar Volume: 139.411 cm3; (15)Polarizability: 17.332×10-24cm3; (16)Surface Tension: 35.79 dyne/cm; (17)Density: 1.456 g/cm3; (18)Flash Point: 90.533 °C; (19)Enthalpy of Vaporization: 43.917 kJ/mol; (20)Boiling Point: 221.361 °C at 760 mmHg; (21)Vapour Pressure: 0.16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1c(cc(F)cc1)C
(2)Std. InChI: InChI=1S/C8H8BrF/c1-6-4-8(10)3-2-7(6)5-9/h2-4H,5H2,1H3
(3)Std. InChIKey: DAKPIAWEPVZDNG-UHFFFAOYSA-N