2-Bromo-6-trifluoromethyltoluene supplier

Name
2-Methyl-3-(trifluoromethyl)bromobenzene
EINECS
CAS No. 69902-83-6
Density 1.538 g/cm³
Solubility
Melting Point
Formula C₈H₆BrF₃
Boiling Point 179.3 °C at 760 mmHg
Molecular Weight 239.035
Flash Point 67.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols F
Synonyms 3-Bromo-2-methylbenzotrifluoride;
PSA 0.00000
LogP 3.77630

2-Bromo-6-trifluoromethyltoluene Specification

The 2-Methyl-3-(trifluoromethyl)bromobenzene, with the CAS registry number of 69902-83-6, is also known as 3-Bromo-2-methylbenzotrifluoride. Its molecular formula is C₈H₆BrF₃ and molecular weight is 239.0324. What's more, its IUPAC name is 1-Bromo-2-methyl-3-(trifluoromethyl)benzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, keep it away from oxidant.

Physical properties about the 2-Methyl-3-(trifluoromethyl)bromobenzene 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: 67.7 °C; (19)Enthalpy of Vaporization: 39.86 kJ/mol; (20)Boiling Point: 179.3 °C at 760 mmHg; (21)Vapour Pressure: 1.28 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cccc(c1C)C(F)(F)F
(2) InChI: InChI=1/C8H6BrF3/c1-5-6(8(10,11)12)3-2-4-7(5)9/h2-4H,1H3
(3) InChIKey: OYFKTZQGAWXNTI-UHFFFAOYAD

Product Name

2-Methyl-3-(trifluoromethyl)bromobenzene

2-Bromo-6-trifluoromethyltoluene Specification

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