3,4,5-Trichlorobenzotrifluoride supplier

Name
3,4,5-Trichlorobenzotrifluoride
EINECS 256-636-6
CAS No. 50594-82-6
Article Data20
CAS DataBase
Density 1.571 g/cm³
Solubility
Melting Point -10- -8 °C
Formula C₇H₂Cl₃F₃
Boiling Point 202.203 °C at 760 mmHg
Molecular Weight 249.447
Flash Point 98.333 °C
Transport Information
Appearance clear colorless liquid
Safety 24/25
Risk Codes 36/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2,3-Trichloro-5-(trifluoromethyl)benzene;3,4,5-Trichloro-a,a,a-trifluorotoluene;Trichlorobenzotrifluoride;
PSA 0.00000
LogP 4.66560

3,4,5-Trichlorobenzotrifluoride Specification

The 3,4,5-Trichlorobenzotrifluoride, with the CAS registry number 50594-82-6, is also known as Trichlorobenzotrifluoride. Its EINECS number is 256-636-6. This chemical's molecular formula is C₇H₂Cl₃F₃ and molecular weight is 249.44. What's more, its systematic name is 1,2,3-Trichloro-5-(trifluoromethyl)benzene. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices. It is used as pesticide intermediates. This chemical is irritating to eyes and skin. When using it, you must avoid contact with skin and eyes.

Physical properties of 3,4,5-Trichlorobenzotrifluoride are: (1)ACD/LogP: 4.799; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.80; (4)ACD/LogD (pH 7.4): 4.80; (5)ACD/BCF (pH 5.5): 2611.94; (6)ACD/BCF (pH 7.4): 2611.94; (7)ACD/KOC (pH 5.5): 9715.35; (8)ACD/KOC (pH 7.4): 9715.35; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.49; (13)Molar Refractivity: 45.918 cm³; (14)Molar Volume: 158.796 cm³; (15)Polarizability: 18.203×10^-24cm³; (16)Surface Tension: 30.15 dyne/cm; (17)Density: 1.571 g/cm³; (18)Flash Point: 98.333 °C; (19)Enthalpy of Vaporization: 42.051 kJ/mol; (20)Boiling Point: 202.203 °C at 760 mmHg; (21)Vapour Pressure: 0.42 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1Cl)C(F)(F)F
(2)Std. InChI: InChI=1S/C7H2Cl3F3/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
(3)Std. InChIKey: FBKFIAIRSQOXJR-UHFFFAOYSA-N

Product Name

3,4,5-Trichlorobenzotrifluoride

3,4,5-Trichlorobenzotrifluoride Specification

Related Products

Hot Products