2-(Trifluoromethyl)benzal chloride supplier

Name
2-(TRIFLUOROMETHYL)BENZAL CHLORIDE
EINECS
CAS No. 707-72-2
Article Data4
CAS DataBase
Density 1.407 g/cm³
Solubility
Melting Point -34.4
Formula C₈H₅Cl₂F₃
Boiling Point 212.3 °C at 760 mmHg
Molecular Weight 229.029
Flash Point 94.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms o-Trifluoromethylbenzal chloride;o-Xylene, a',a'-dichloro-a,a,a-trifluoro- (6CI,8CI);1-(dichloromethyl)-2-(trifluoromethyl)benzene;1-(Dichloromethyl)-2-(trifluoromethyl)benzene;Benzene, 1-(dichloromethyl)-2-(trifluoromethyl)-;α',α'-dichloro-α,α,α-trifluoro-O-xylene;
PSA 0.00000
LogP 4.18160

2-(Trifluoromethyl)benzal chloride Specification

The Benzene,1-(dichloromethyl)-2-(trifluoromethyl)-, with the CAS registry number 707-72-2, has the systematic name of 1-(dichloromethyl)-2-(trifluoromethyl)benzene. It is a kind of irritant chemical, and the molecular formula of the chemical is C₈H₅Cl₂F₃.

The characteristics of Benzene,1-(dichloromethyl)-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 164.38; (6)ACD/BCF (pH 7.4): 164.38; (7)ACD/KOC (pH 5.5): 1341.9; (8)ACD/KOC (pH 7.4): 1341.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 45.85 cm³; (15)Molar Volume: 162.7 cm³; (16)Polarizability: 18.17×10^-24cm³; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 1.407 g/cm³; (19)Flash Point: 94.3 °C; (20)Enthalpy of Vaporization: 43.03 kJ/mol; (21)Boiling Point: 212.3 °C at 760 mmHg; (22)Vapour Pressure: 0.254 mmHg at 25°C.

Preparation of Benzene,1-(dichloromethyl)-2-(trifluoromethyl)-: This chemical can be prepared by 1-(trichloromethyl)-2-(trifluoromethyl)benzene. The reaction will need reagent thiophenol, and the catalyst CuBr. The reaction time is 10 hours with temperature of 120°C, and the yield is about 75%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(Cl)c1ccccc1C(F)(F)F
(2)InChI: InChI=1/C8H5Cl2F3/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H
(3)InChIKey: JIJFXGFHPXLJME-UHFFFAOYAT

Product Name

2-(TRIFLUOROMETHYL)BENZAL CHLORIDE

2-(Trifluoromethyl)benzal chloride Specification

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