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CAS No.: | 875664-32-7 |
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Name: | 2-BROMO-5-(TRIFLUOROMETHYL)BENZYL BROMIDE |
Molecular Structure: | |
Formula: | C8H5Br2F3 |
Molecular Weight: | 306.04 |
Synonyms: | 2-BROMO-5-(TRIFLUOROMETHYL)BENZYL BROMIDE;1-Bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene;2-Bromo-5-(trifluoromethyl)BenzylBromide97+% |
Density: | 1.885 g/cm3 |
Boiling Point: | 258.7 °C at 760 mmHg |
Flash Point: | 110.2 °C |
Hazard Symbols: | C |
PSA: | 0.00000 |
LogP: | 4.36280 |
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The Benzene,1-bromo-2-(bromomethyl)-4-(1,1-dimethylethyl)- is an organic compound with the formula C8H5Br2F3. The systematic name of this chemical is 1-bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene. With the CAS registry number 875664-32-7, it is also named as 2-Bromo-5-(trifluoromethyl)benzyl bromide. Besides, it should be stored in a closed cool and dry place.
Physical properties about Benzene,1-bromo-2-(bromomethyl)-4-(1,1-dimethylethyl)- are: (1)ACD/LogP: 4.01; (2)ACD/LogD (pH 5.5): 4.01; (3)ACD/LogD (pH 7.4): 4.01; (4)ACD/BCF (pH 5.5): 659.88; (5)ACD/BCF (pH 7.4): 659.88; (6)ACD/KOC (pH 5.5): 3628.91; (7)ACD/KOC (pH 7.4): 3628.91; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.523; (10)Molar Refractivity: 51.57 cm3; (11)Molar Volume: 168.6 cm3; (12)Polarizability: 20.44×10-24cm3; (13)Surface Tension: 32.9 dyne/cm; (14)Density: 1.885 g/cm3; (15)Flash Point: 110.2 °C; (16)Enthalpy of Vaporization: 47.62 kJ/mol; (17)Boiling Point: 258.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0219 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cc(ccc1Br)C(F)(F)F
(2)InChI: InChI=1/C8H5Br2F3/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2
(3)InChIKey: TXJHPBWTPBYLFP-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H5Br2F3/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2
(5)Std. InChIKey: TXJHPBWTPBYLFP-UHFFFAOYSA-N