CAS No.103889-37-8,2-CHLORO-6-FLUOROBENZOTRIFLUORIDE 98 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103889-37-8
Name:	2-CHLORO-6-FLUOROBENZOTRIFLUORIDE 98

Formula:	C₇H₃ClF₄
Molecular Weight:	198.547
Synonyms:	2-Chloro-6-fluorobenzotrifluoride;1-Chloro-3-fluoro-2-trifluoromethylbenzene;3-Chloro-1-fluoro-2-(trifluoromethyl)benzene;
Density:	1.427 g/cm³
Boiling Point:	160.9 °C at 760 mmHg
Flash Point:	55.7 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	0.00000
LogP:	3.49790

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Specification

The Benzene,1-chloro-3-fluoro-2-(trifluoromethyl)-, with the CAS registry number 103889-37-8, is also known as 2-Chloro-6-fluorobenzotrifluoride. This chemical's molecular formula is C₇H₃ClF₄ and molecular weight is 198.55. What's more, its systematic name is 1-Chloro-3-fluoro-2-(trifluoromethyl)benzene.

Physical properties of Benzene,1-chloro-3-fluoro-2-(trifluoromethyl)- are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 148.11; (6)ACD/BCF (pH 7.4): 148.11; (7)ACD/KOC (pH 5.5): 1245.39; (8)ACD/KOC (pH 7.4): 1245.39; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.432; (13)Molar Refractivity: 36.12 cm³; (14)Molar Volume: 139.1 cm³; (15)Polarizability: 14.31×10^-24 cm³; (16)Surface Tension: 23.8 dyne/cm; (17)Density: 1.427 g/cm³; (18)Flash Point: 55.7 °C; (19)Enthalpy of Vaporization: 38.11 kJ/mol; (20)Boiling Point: 160.9 °C at 760 mmHg; (21)Vapour Pressure: 3.04 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. It may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(F)cccc1Cl
(2)InChI: InChI=1/C7H3ClF4/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
(3)InChIKey: ILUCOEVDXAZECW-UHFFFAOYAO