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| CAS No.: | 400-73-7 |
|---|---|
| Name: | 4-CHLORO-3-(TRIFLUOROMETHYL)ANISOLE |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6ClF3O |
| Molecular Weight: | 210.583 |
| Synonyms: | 2-CHLORO-5-METHOXYBENZOTRIFLUORIDE;1-CHLORO-4-METHOXY-2-TRIFLUOROMETHYL-BENZENE;4-CHLORO-3-(TRIFLUOROMETHYL)ANISOLE |
| EINECS: | -0 |
| Density: | 1.325 g/cm3 |
| Boiling Point: | 206.7 °C at 760 mmHg |
| Flash Point: | 78.8 °C |
| Hazard Symbols: |
 Xi, F
|
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 9.23000 |
| LogP: | 3.36740 |
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Specification
The Benzene,1-chloro-4-methoxy-2-(trifluoromethyl)- is an organic compound with the formula C8H6ClF3O. The IUPAC name of this chemical is 1-chloro-4-methoxy-2-(trifluoromethyl)benzene. With the CAS registry number 400-73-7, it is also named as 4-Chloro-3-(trifluoromethyl)anisole.
Physical properties about Benzene,1-chloro-4-methoxy-2-(trifluoromethyl)- are: (1)ACD/LogP: 4.02; (2)ACD/LogD (pH 5.5): 4.02; (3)ACD/LogD (pH 7.4): 4.02; (4)ACD/BCF (pH 5.5): 670.28; (5)ACD/BCF (pH 7.4): 670.28; (6)ACD/KOC (pH 5.5): 3669.74; (7)ACD/KOC (pH 7.4): 3669.74; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.451; (12)Molar Refractivity: 42.8 cm3; (13)Molar Volume: 158.8 cm3; (14)Polarizability: 16.96×10-24cm3; (15)Surface Tension: 25.4 dyne/cm; (16)Density: 1.325 g/cm3; (17)Flash Point: 78.8 °C; (18)Enthalpy of Vaporization: 42.49 kJ/mol; (19)Boiling Point: 206.7 °C at 760 mmHg; (20)Vapour Pressure: 0.335 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is flammable. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(OC)ccc1Cl
(2)InChI: InChI=1/C8H6ClF3O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
(3)InChIKey: HUFKNQCAJLSTLH-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H6ClF3O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
(5)Std. InChIKey: HUFKNQCAJLSTLH-UHFFFAOYSA-N