4-Bromo-3-chlorobenzotrifluoride supplier

Name
1-BROMO-2-CHLORO-4-TRIFLUOROMETHYL-BENZENE
EINECS
CAS No. 402-04-0
Density 1.717 g/cm³
Solubility
Melting Point -25.0--22.8 °C
Formula C₇H₃BrClF₃
Boiling Point 211.3 °C at 760 mmHg
Molecular Weight 259.453
Flash Point 81.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Toluene,4-bromo-3-chloro-a,a,a-trifluoro- (8CI);1-Bromo-2-chloro-4-trifluoromethylbenzene;
PSA 0.00000
LogP 4.12130

4-Bromo-3-chlorobenzotrifluoride Specification

This chemical is called 4-Bromo-3-chlorobenzotrifluoride, and its systematic name is 1-bromo-2-chloro-4-(trifluoromethyl)benzene. With the molecular formula of C₇H₃BrClF₃, its molecular weight is 259.45. The CAS registry number of this chemical is 402-04-0. Additionally, its product categories are Trifluoromethylbenzene serise; Trifluoromethyl-benzene series.

Other characteristics of the 4-Bromo-3-chlorobenzotrifluoride can be summarised as followings: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 658.46; (6)ACD/BCF (pH 7.4): 658.46; (7)ACD/KOC (pH 5.5): 3623.3; (8)ACD/KOC (pH 7.4): 3623.3; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.491; (13)Molar Refractivity: 43.81 cm³; (14)Molar Volume: 151 cm³; (15)Polarizability: 17.37×10^-24cm³; (16)Surface Tension: 29 dyne/cm; (17)Density: 1.717 g/cm³; (18)Flash Point: 81.6 °C; (19)Enthalpy of Vaporization: 42.93 kJ/mol; (20)Boiling Point: 211.3 °C at 760 mmHg; (21)Vapour Pressure: 0.267 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(ccc1Br)C(F)(F)F
2.InChI: InChI=1/C7H3BrClF3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
3.InChIKey: RVTIHGGJJMXISV-UHFFFAOYAF

Product Name

1-BROMO-2-CHLORO-4-TRIFLUOROMETHYL-BENZENE

4-Bromo-3-chlorobenzotrifluoride Specification

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