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CAS No.: | 213203-65-7 |
---|---|
Name: | 3-FLUORO-4-(TRIFLUOROMETHYL)BENZYL BROMIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H5BrF4 |
Molecular Weight: | 257.025 |
Synonyms: | 3-Fluoro-4-(trifluoromethyl)benzyl bromide; |
EINECS: | -0 |
Density: | 1.64 g/cm3 |
Melting Point: | 25-27 °C |
Boiling Point: | 206.8 °C at 760 mmHg |
Flash Point: | 102.2 °C |
Hazard Symbols: | C |
Risk Codes: | 34-36/37/38 |
Safety: | 26-36/37/39 |
Transport Information: | UN 1760 |
PSA: | 0.00000 |
LogP: | 3.73940 |
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The Benzene, 4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)-, with the CAS registry number of 213203-65-7, is also known as 3-Fluoro-4-(trifluoromethyl)benzyl bromide. This chemical's molecular formula is C8H5BrF4 and molecular weight is 257.02. What's more, its IUPAC name is 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene. In addition, it must be stored in airtight containers and placed in a dry, cool, ventilated place. Meanwhile, it should be kept away from oxidant, water and alkali.
Physical properties about Benzene, 4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)- are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.57; (5)ACD/BCF (pH 5.5): 301.86; (6)ACD/BCF (pH 7.4): 301.86; (7)ACD/KOC (pH 5.5): 2073.24; (8)ACD/KOC (pH 7.4): 2073.24; (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: 1.472; (14)Molar Refractivity: 43.87 cm3; (15)Molar Volume: 156.6 cm3; (16)Polarizability: 17.39×10-24 cm3; (17)Surface Tension: 28 dyne/cm; (18)Density: 1.64 g/cm3; (19)Flash Point: 102.2 °C; (20)Enthalpy of Vaporization: 42.5 kJ/mol; (21)Boiling Point: 206.8 °C at 760 mmHg; (22)Vapour Pressure: 0.334 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it may cause burns and destroy living tissue on contact. What’s more, this chemical is corrosive and lachrymatory. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following data into molecular structure:
(1) SMILES: FC(F)(F)c1ccc(cc1F)CBr
(2) InChI: InChI=1/C8H5BrF4/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2
(3) InChIKey: MOVSRIIBGRAUAF-UHFFFAOYAA