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CAS No.: | 151412-12-3 |
---|---|
Name: | 2-FLUORO-3-METHYLBENZYL BROMIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H8BrF |
Molecular Weight: | 203.054 |
Synonyms: | 1-(Bromomethyl)-2-fluoro-3-methylbenzene;2-Fluoro-3-methylbenzyl bromide;3-Methyl-2-fluorobenzyl bromide; |
Density: | 1.456 g/cm3 |
Boiling Point: | 211.6 °C at 760 mmHg |
Flash Point: | 84.5 °C |
Solubility: | Insoluble in water. |
Appearance: | clear colorless to light yellow liquid |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 45-36/37/39-26 |
PSA: | 0.00000 |
LogP: | 3.02900 |
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The Benzene,1-(bromomethyl)-2-fluoro-3-methyl-, with the CAS registry number 151412-12-3, is also known as 2-Fluoro-3-methylbenzyl bromide 98%. This chemical's molecular formula is C8H8BrF and molecular weight is 203.0515. Its systematic name is called 1-(bromomethyl)-2-fluoro-3-methylbenzene. This chemical is clear colorless to light yellow liquid.
Physical properties of Benzene,1-(bromomethyl)-2-fluoro-3-methyl-: (1)ACD/LogP: 3.43; (2)ACD/LogD (pH 5.5): 3.43; (3)ACD/LogD (pH 7.4): 3.43; (4)ACD/BCF (pH 5.5): 238.46; (5)ACD/BCF (pH 7.4): 238.46; (6)ACD/KOC (pH 5.5): 1751.31; (7)ACD/KOC (pH 7.4): 1751.31; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.539; (10)Molar Refractivity: 43.71 cm3; (11)Molar Volume: 139.4 cm3; (12)Surface Tension: 35.7 dyne/cm; (13)Density: 1.456 g/cm3; (14)Flash Point: 84.5 °C; (15)Enthalpy of Vaporization: 42.97 kJ/mol; (16)Boiling Point: 211.6 °C at 760 mmHg; (17)Vapour Pressure: 0.262 mmHg at 25°C.
Uses of Benzene,1-(bromomethyl)-2-fluoro-3-methyl-: it can be used to produce N-(2-fluoro-3-methylbenzyl)-1-aza-4,7,10,13-tetraoxacyclopentadecane by heating. This reaction will need reagent Na2CO3 and solvent acetonitrile with reaction time of 16 hours. The yield is about 79%.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cccc(c1F)C
(2)InChI: InChI=1/C8H8BrF/c1-6-3-2-4-7(5-9)8(6)10/h2-4H,5H2,1H3
(3)InChIKey: DCGWFNZSJBIAKE-UHFFFAOYAT