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Name |
Benzene,1-bromo-2-(bromomethyl)-4-(1,1-dimethylethyl)- |
EINECS | N/A |
CAS No. | 875664-32-7 | Density | 1.885 g/cm3 |
PSA | 0.00000 | LogP | 4.36280 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5Br2F3 | Boiling Point | 258.7 °C at 760 mmHg |
Molecular Weight | 306.04 | Flash Point | 110.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
2-BROMO-5-(TRIFLUOROMETHYL)BENZYL BROMIDE;1-Bromo-2-(bromomethyl)-4-(trifluoromethyl)benzene;2-Bromo-5-(trifluoromethyl)BenzylBromide97+% |
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