3,4-Dichloro-6-(trifluoromethyl)toluene supplier

Name
3,4-Dichloro-6-(trifluoromethyl)toluene
EINECS 1533716-785-6
CAS No. 74483-51-5
Article Data2
CAS DataBase
Density 1.404 g/cm³
Solubility
Melting Point
Formula C₈H₅Cl₂F₃
Boiling Point 201.5 °C at 760 mmHg
Molecular Weight 229.029
Flash Point 88.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4,5-Dichloro-2-methyltrifluorotoluene;
PSA 0.00000
LogP 4.32060

Synthetic route

: 95-75-0
3,4-Dichlorotoluene

: 74483-51-5
1,2-Cl2-4-CF3-5-MeC6H2

Conditions

Conditions	Yield
With hydrogen fluoride In tetrachloromethane	74%

: 56-23-5
tetrachloromethane

: 95-75-0
3,4-Dichlorotoluene

A: 74483-51-5
1,2-Cl2-4-CF3-5-MeC6H2

B: 1,2-Dichloro-5-methyl-3-trifluoromethyl-benzene

Conditions

Conditions	Yield
With hydrogen fluoride at 115℃; for 12h; Yield given. Yields of byproduct given;

...Expand

3,4-Dichloro-6-(trifluoromethyl)toluene Specification

The IUPAC name of 3,4-Dichloro-6-(trifluoromethyl)toluene is 1,2-dichloro-4-methyl-5-(trifluoromethyl)benzene. With the CAS registry number 74483-51-5, it is also named as 4,5-Dichloro-2-methyltrifluorotoluene. It is colorless to light brown crystals. In addition, its molecular formula is C₈H₅Cl₂F₃ and molecular weight is 229.03.

The other characteristics of 3,4-Dichloro-6-(trifluoromethyl)toluene can be summarized as: (1)ACD/LogP: 4.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.58; (4)ACD/LogD (pH 7.4): 4.58; (5)ACD/BCF (pH 5.5): 1787.7; (6)ACD/BCF (pH 7.4): 1787.7; (7)ACD/KOC (pH 5.5): 7406.1; (8)ACD/KOC (pH 7.4): 7406.1; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.474; (13)Molar Refractivity: 45.84 cm³; (14)Molar Volume: 163.1 cm³; (15)Polarizability: 18.17×10^-24cm³; (16)Surface Tension: 27.5 dyne/cm; (17)Density: 1.404 g/cm³; (18)Flash Point: 88.3 °C; (19)Enthalpy of Vaporization: 41.98 kJ/mol; (20)Boiling Point: 201.5 °C at 760 mmHg; (21)Vapour Pressure: 0.437 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc(c(cc1Cl)C(F)(F)F)C
(2)InChI: InChI=1/C8H5Cl2F3/c1-4-2-6(9)7(10)3-5(4)8(11,12)13/h2-3H,1H3
(3)InChIKey: OARYHYOOIUIKFZ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H5Cl2F3/c1-4-2-6(9)7(10)3-5(4)8(11,12)13/h2-3H,1H3
(5)Std. InChIKey: OARYHYOOIUIKFZ-UHFFFAOYSA-N

Product Name

3,4-Dichloro-6-(trifluoromethyl)toluene

Synthetic route

3,4-Dichloro-6-(trifluoromethyl)toluene Specification

Related Products

Hot Products