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Benzene,4-bromo-1-methyl-2-(trifluoromethyl)-

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Name

Benzene,4-bromo-1-methyl-2-(trifluoromethyl)-

EINECS N/A
CAS No. 86845-27-4 Density 1.538 g/cm3
PSA 0.00000 LogP 3.77630
Solubility N/A Melting Point N/A
Formula C8H6BrF3 Boiling Point 181.8 °C at 760 mmHg
Molecular Weight 239.035 Flash Point 69.7 °C
Transport Information UN 1993 Appearance N/A
Safety 16-26-36 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 86845-27-4 (4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE) Hazard Symbols FlammableF
Synonyms

4-Bromo-1-methyl-2-(trifluoromethyl)benzene;4-Bromo-2-trifluoromethyltoluene;4-Methyl-3-(trifluoromethyl)bromobenzene;5-Bromo-2-methylbenzotrifluoride;

 

Benzene,4-bromo-1-methyl-2-(trifluoromethyl)- Specification

The Benzene, 4-bromo-1-methyl-2-(trifluoromethyl)-, with the CAS registry number of 86845-27-4, is also known as 4-Brom-1-methyl-2-(trifluormethyl)benzol. It belongs to the product categories of Trifluoromethylbenzene Serise. This chemical's molecular formula is C8H6BrF3 and molecular weight is 239.03. What's more, its IUPAC name is 4-Bromo-1-methyl-2-(trifluoromethyl)benzene.

Physical properties about Benzene, 4-bromo-1-methyl-2-(trifluoromethyl)- are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 391.51; (6)ACD/BCF (pH 7.4): 391.51; (7)ACD/KOC (pH 5.5): 2497.42; (8)ACD/KOC (pH 7.4): 2497.42; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 43.74 cm3; (15)Molar Volume: 155.4 cm3; (16)Surface Tension: 26.5 dyne/cm; (17)Density: 1.538 g/cm3; (18)Flash Point: 69.7 °C; (19)Enthalpy of Vaporization: 40.09 kJ/mol; (20)Boiling Point: 181.8 °C at 760 mmHg; (21)Vapour Pressure: 1.14 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. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(c(cc1)C)C(F)(F)F
(2) InChI: InChI=1/C8H6BrF3/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,1H3
(3) InChIKey: IZFVIEYHUOUPPH-UHFFFAOYAS

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