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CAS No.: | 261951-71-7 |
---|---|
Name: | 5-Fluoro-2-methylbenzyl Bromide |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H8BrF |
Molecular Weight: | 203.054 |
Synonyms: | 2-Bromomethyl-4-fluoro-1-methylbenzene;2-Methyl-5-fluorobenzyl bromide;5-Fluoro-2-methylbenzyl bromide; |
Density: | 1.456 g/cm3 |
Boiling Point: | 212.8 °C at 760 mmHg |
Flash Point: | 85.2 °C |
Hazard Symbols: | C,Xn |
Risk Codes: | 22-34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN1760 |
PSA: | 0.00000 |
LogP: | 3.02900 |
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This chemical is called Benzene, 2-(bromomethyl)-4-fluoro-1-methyl-, and its systematic name is 2-(bromomethyl)-4-fluoro-1-methylbenzene. With the molecular formula of C8H8BrF, its molecular weight is 203.05. The CAS registry number of this chemical is 261951-71-7. In addition, this chemical should be sealed in the cool and dry plcace, away from oxides.
Other characteristics of the Benzene, 2-(bromomethyl)-4-fluoro-1-methyl- can be summarised as followings: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 238.46; (6)ACD/BCF (pH 7.4): 238.46; (7)ACD/KOC (pH 5.5): 1751.31; (8)ACD/KOC (pH 7.4): 1751.31; (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: 1.539; (14)Molar Refractivity: 43.71 cm3; (15)Molar Volume: 139.4 cm3; (16)Polarizability: 17.33×10-24cm3; (17)Surface Tension: 35.7 dyne/cm; (18)Density: 1.456 g/cm3; (19)Flash Point: 85.2 °C; (20)Enthalpy of Vaporization: 43.08 kJ/mol; (21)Boiling Point: 212.8 °C at 760 mmHg; (22)Vapour Pressure: 0.247 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc(c(cc1)C)CBr
2.InChI: InChI=1/C8H8BrF/c1-6-2-3-8(10)4-7(6)5-9/h2-4H,5H2,1H3
3.InChIKey: DRIYGEORZARQGO-UHFFFAOYAE