3-Bromo-5-methylbenzotrifluoride supplier

Name
3-BROMO-5-(TRIFLUOROMETHYL)TOLUENE
EINECS
CAS No. 86845-28-5
Article Data2
CAS DataBase
Density 1.538 g/cm³
Solubility
Melting Point
Formula C₈H₆BrF₃
Boiling Point 178.7 °C at 760 mmHg
Molecular Weight 239.035
Flash Point 67.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-BROMO-5-(TRIFLUOROMETHYL)TOLUENE;3-Bromo-5-methylbenzotrifluoride;1-Bromo-3-methyl-5-trifluoromethylbenzene;3-Bromo-5-methylbenzotrifluoride 99%;1-Bromo-3-methyl-5-(trifluoromethyl)benzene, 5-Bromo-alpha,alpha,alpha-trifluoro-m-xylene;3-BroMo-5-(trifluoroMethyl)toluene[3-BroMo-5-Methylbenzotrifluoride]
PSA 0.00000
LogP 3.77630

3-Bromo-5-methylbenzotrifluoride Specification

The Benzene,1-bromo-3-methyl-5-(trifluoromethyl)-, with CAS registry number 86845-28-5, belongs to the following product category: Aromatic Halides (substituted). It has the systematic name of 1-bromo-3-methyl-5-(trifluoromethyl)benzene. And the chemical formula of this chemical is C₈H₆BrF₃.

Physical properties of Benzene,1-bromo-3-methyl-5-(trifluoromethyl)-: (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: Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 43.74 cm³; (15)Molar Volume: 155.4 cm³; (16)Polarizability: 17.34×10^-24cm³; (17)Surface Tension: 26.5 dyne/cm; (18)Density: 1.538 g/cm³; (19)Flash Point: 67.1 °C; (20)Enthalpy of Vaporization: 39.79 kJ/mol; (21)Boiling Point: 178.7 °C at 760 mmHg; (22)Vapour Pressure: 1.32 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(C)cc(Br)c1
(2)InChI: InChI=1/C8H6BrF3/c1-5-2-6(8(10,11)12)4-7(9)3-5/h2-4H,1H3
(3)InChIKey: ZDAIYLXHTGIUGY-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H6BrF3/c1-5-2-6(8(10,11)12)4-7(9)3-5/h2-4H,1H3
(5)Std. InChIKey: ZDAIYLXHTGIUGY-UHFFFAOYSA-N

Product Name

3-BROMO-5-(TRIFLUOROMETHYL)TOLUENE

3-Bromo-5-methylbenzotrifluoride Specification

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