-
Name
ALPHA-METHYL-2-TRIFLUOROMETHYLBENZYL BROMIDE
- EINECS
- CAS No. 194152-29-9
- Density 1.491 g/cm3
- Solubility
- Melting Point
- Formula C9H8BrF3
- Boiling Point 208.2 °C at 760 mmHg
- Molecular Weight 253.06
- Flash Point 91.3 °C
- Transport Information
- Appearance
- Safety
-
Risk Codes
C:;
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Molecular Structure
-
Hazard Symbols
C
- Synonyms 1-Bromo-1-[2-(trifluoromethyl)phenyl]ethane;α-Methyl-2-(trifluoromethyl)benzyl bromide;1-(1-Bromoethyl)-2-(trifluoromethyl)benzene;
- PSA 0.00000
- LogP 4.16130
Benzene,1-(1-bromoethyl)-2-(trifluoromethyl)- Specification
The Benzene,1-(1-bromoethyl)-2-(trifluoromethyl)-, with the CAS registry number 194152-29-9, is also known as 1-Bromo-1-[2-(trifluoromethyl)phenyl]ethane. This chemical's molecular formula is C9H8BrF3 and molecular weight is 253.06. What's more, its systematic name is 1-(1-bromoethyl)-2-(trifluoromethyl)benzene. When you are using this chemical, please be cautious about it. It may destroy living tissue on contact.
Physical properties of Benzene,1-(1-bromoethyl)-2-(trifluoromethyl)- are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 486.39; (6)ACD/BCF (pH 7.4): 486.39; (7)ACD/KOC (pH 5.5): 2917.05; (8)ACD/KOC (pH 7.4): 2917.05; (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: 1.483; (14)Molar Refractivity: 48.51 cm3; (15)Molar Volume: 169.6 cm3; (16)Polarizability: 19.23×10-24cm3; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 1.491 g/cm3; (19)Flash Point: 91.3 °C; (20)Enthalpy of Vaporization: 42.64 kJ/mol; (21)Boiling Point: 208.2 °C at 760 mmHg; (22)Vapour Pressure: 0.311 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1C(Br)C
(2)Std. InChI: InChI=1S/C9H8BrF3/c1-6(10)7-4-2-3-5-8(7)9(11,12)13/h2-6H,1H3
(3)Std. InChIKey: NRHZXDVOUGKSPA-UHFFFAOYSA-N
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