1-(3-Bromopropyl)-3-(trifluoromethyl)benzene supplier

Name
1-BroMo-3-[3-(trifluoroMethyl)phenyl]propane
EINECS
CAS No. 129254-76-8
Article Data9
CAS DataBase
Density 1.44 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀BrF₃
Boiling Point 226.3 °C at 760 mmHg
Molecular Weight 267.089
Flash Point 106 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Bromo-3-[3-(trifluoromethyl)phenyl]propane;
PSA 0.00000
LogP 4.03290

1-(3-Bromopropyl)-3-(trifluoromethyl)benzene Specification

The Benzene, 1-(3-bromopropyl)-3-(trifluoromethyl)-, with the CAS registry number 129254-76-8, is also known as 1-Bromo-3-[3-(trifluoromethyl)phenyl]propane. This chemical's molecular formula is C₁₀H₁₀BrF₃ and molecular weight is 267.09. What's more, its systematic name is 1-(3-bromopropyl)-3-(trifluoromethyl)benzene.

Physical properties of Benzene, 1-(3-bromopropyl)-3-(trifluoromethyl)- are: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.29; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1073.9; (6)ACD/BCF (pH 7.4): 1073.9; (7)ACD/KOC (pH 5.5): 5142.37; (8)ACD/KOC (pH 7.4): 5142.37; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.484; (13)Molar Refractivity: 53.14 cm³; (14)Molar Volume: 185.4 cm³; (15)Polarizability: 21.06×10^-24cm³; (16)Surface Tension: 29.7 dyne/cm; (17)Density: 1.44 g/cm³; (18)Flash Point: 106 °C; (19)Enthalpy of Vaporization: 44.4 kJ/mol; (20)Boiling Point: 226.3 °C at 760 mmHg; (21)Vapour Pressure: 0.124 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(CCCBr)c1
(2)InChI: InChI=1S/C10H10BrF3/c11-6-2-4-8-3-1-5-9(7-8)10(12,13)14/h1,3,5,7H,2,4,6H2
(3)InChIKey: IQLGEKQZDZVBKY-UHFFFAOYSA-N

Product Name

1-BroMo-3-[3-(trifluoroMethyl)phenyl]propane

1-(3-Bromopropyl)-3-(trifluoromethyl)benzene Specification

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