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| CAS No.: | 89634-74-2 |
|---|---|
| Name: | 5-CHLORO-2-FLUOROBENZOTRIFLUORIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H3ClF4 |
| Molecular Weight: | 198.547 |
| Synonyms: | 4-CHLORO-1-FLUORO-2-(TRIFLUOROMETHYL)BENZENE;5-CHLORO-2-FLUOROBENZOTRIFLUORIDE;5-CHLORO-2-FLUORO(TRIFLUOROMETHYL)BENZENE;5-Chloro-2-fluorobenzotrifluoride, 98+%;Benzene, 4-chloro-1-fluoro-2-(trifluoroMethyl)-;4-Chloro-1-fluoro-2-(trifluoromethyl)benzene, 5-Chloro-alpha,alpha,alpha,2-tetrafluorotoluene;5-Chloro-2-fluorobenzotrifluoride 98% |
| Density: | 1.427 g/cm3 |
| Boiling Point: | 145.3 °C at 760 mmHg |
| Flash Point: | 46.9 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 0.00000 |
| LogP: | 3.49790 |
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Specification
The 5-Chloro-2-fluorobenzotrifluoride, with CAS registry number 89634-74-2, belongs to the following product category: Miscellaneous. It has the systematic name of 4-chloro-1-fluoro-2-(trifluoromethyl)benzene. Besides this, it is also called Benzene, 4-chloro-1-fluoro-2-(trifluoromethyl)-. And the chemical formula of this chemical is C7H3ClF4.
Physical properties of 5-Chloro-2-fluorobenzotrifluoride: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.6; (4)ACD/LogD (pH 7.4): 3.6; (5)ACD/BCF (pH 5.5): 323.05; (6)ACD/BCF (pH 7.4): 323.05; (7)ACD/KOC (pH 5.5): 2176.4; (8)ACD/KOC (pH 7.4): 2176.4; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 36.12 cm3; (15)Molar Volume: 139.1 cm3; (16)Polarizability: 14.31×10-24cm3; (17)Surface Tension: 23.8 dyne/cm; (18)Enthalpy of Vaporization: 36.66 kJ/mol; (19)Vapour Pressure: 6.16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(Cl)cc1C(F)(F)F
(2)InChI: InChI=1/C7H3ClF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
(3)InChIKey: PFLGDQIWYTWKCM-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H3ClF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
(5)Std. InChIKey: PFLGDQIWYTWKCM-UHFFFAOYSA-N