CAS No.16766-90-8,3-TRIFLUOROMETHYL BENZOTRICHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16766-90-8
Name:	3-TRIFLUOROMETHYL BENZOTRICHLORIDE
Article Data:	7

Formula:	C₈H₄Cl₃F₃
Molecular Weight:	263.474
Synonyms:	3-Trifluoromethylbenzotrichloride;1-(Trichloromethyl)-3-(trifluoromethyl)benzene;
EINECS:	240-822-9
Density:	1.511 g/cm³
Boiling Point:	211.8 °C at 760 mmHg
Flash Point:	98.6 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39

Total:26 Page 1 of 1 1

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Specification

The Benzene,1-(trichloromethyl)-3-(trifluoromethyl)-, with the CAS registry number 16766-90-8, is also known as 3-Trifluoromethylbenzotrichloride. Its EINECS number is 240-822-9. This chemical's molecular formula is C₈H₄Cl₃F₃ and molecular weight is 263.47. What's more, its systematic name is 1-(trichloromethyl)-3-(trifluoromethyl)benzene.

Physical properties of Benzene,1-(trichloromethyl)-3-(trifluoromethyl)- are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 556.43; (6)ACD/BCF (pH 7.4): 556.43; (7)ACD/KOC (pH 5.5): 3211.96; (8)ACD/KOC (pH 7.4): 3211.96; (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: 1.488; (14)Molar Refractivity: 50.26 cm³; (15)Molar Volume: 174.2 cm³; (16)Polarizability: 19.92×10^-24cm³; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 1.511 g/cm³; (19)Flash Point: 98.6 °C; (20)Enthalpy of Vaporization: 42.98 kJ/mol; (21)Boiling Point: 211.8 °C at 760 mmHg; (22)Vapour Pressure: 0.26 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)c1cccc(c1)C(F)(F)F
(2)Std. InChI: InChI=1S/C8H4Cl3F3/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H
(3)Std. InChIKey: SKWWCKGHUDPXOZ-UHFFFAOYSA-N