Benzene,1,3,5-trifluoro-2-(trifluoromethyl)- supplier

Name
2,4,6-TRIFLUOROBENZOTRIFLUORIDE
EINECS -0
CAS No. 122030-04-0
Density 1.475 g/cm³
Solubility Not miscible or difficult to mix in water.
Melting Point
Formula C₇H₂F₆
Boiling Point 107.6 °C at 760 mmHg
Molecular Weight 200.08
Flash Point 21.4 °C
Transport Information UN 1993 3/PG 3
Appearance clear colorless to slightly yellow liquid
Safety 26-36
Risk Codes 11-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,3,5-Trifluoro-2-(trifluoromethyl)benzene;2,4,6-Trifluoro-1-(trifluoromethyl)benzene;2,4,6-Trifluorobenzo trifluoride;2,4,6-Trifluorobenzotrifluoride;1,3,5-trifluoro-2-(trifluoromethyl)benzene;1,3,5-trifluoro-2-(trifluoromethyl)benzene;benzene, 1,3,5-trifluoro-2-(trifluoromethyl)-;
PSA 0.00000
LogP 3.12270

Benzene,1,3,5-trifluoro-2-(trifluoromethyl)- Specification

The Benzene,1,3,5-trifluoro-2-(trifluoromethyl)-, with the CAS registry number 122030-04-0, has the systematic name of 1,3,5-trifluoro-2-(trifluoromethyl)benzene. It is a kind of clear colorless to slightly yellow liquid, and belongs to the following product categories: Aryl; C7; Halogenated Hydrocarbons. And the molecular formula of the chemical is C₇H₂F₆.

The characteristics of Benzene,1,3,5-trifluoro-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): 164.13; (6)ACD/BCF (pH 7.4): 164.13; (7)ACD/KOC (pH 5.5): 1340.4; (8)ACD/KOC (pH 7.4): 1340.4; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.377; (14)Molar Refractivity: 31.21 cm³; (15)Molar Volume: 135.5 cm³; (16)Polarizability: 12.37×10^-24cm³; (17)Surface Tension: 19.7 dyne/cm; (18)Density: 1.475 g/cm³; (19)Flash Point: 21.4 °C; (20)Enthalpy of Vaporization: 33.21 kJ/mol; (21)Boiling Point: 107.6 °C at 760 mmHg; (22)Vapour Pressure: 31.5 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1c(F)cc(F)cc1F
(2)InChI: InChI=1/C7H2F6/c8-3-1-4(9)6(5(10)2-3)7(11,12)13/h1-2H
(3)InChIKey: SGPXFVDJRSZIPK-UHFFFAOYAU

Product Name

2,4,6-TRIFLUOROBENZOTRIFLUORIDE

Benzene,1,3,5-trifluoro-2-(trifluoromethyl)- Specification

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