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| CAS No.: | 104359-35-5 |
|---|---|
| Name: | 2,6-Dichloro-Benzotrifluoride |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C7H3Cl2F3 |
| Molecular Weight: | 215.002 |
| Synonyms: | 2,6-Dichlorobenzotrifluoride;1,3-Dichloro-2-(trifluoromethyl)benzene; |
| Density: | 1.464 g/cm3 |
| Boiling Point: | 202.1 °C at 760 mmHg |
| Flash Point: | 83.1 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | T:; ">  T:; |
| PSA: | 0.00000 |
| LogP: | 4.01220 |
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- Total:31 Page 1 of 1 1
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Specification
The Benzene,1,3-dichloro-2-(trifluoromethyl)-, with the CAS registry number 104359-35-5, is also known as 2,6-Dichlorobenzotrifluoride. This chemical's molecular formula is C7H3Cl2F3 and molecular weight is 215.00. What's more, its systematic name is 1,3-dichloro-2-(trifluoromethyl)benzene.
Physical properties of Benzene,1,3-dichloro-2-(trifluoromethyl)- are: (1)ACD/LogP: 4.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.27; (4)ACD/LogD (pH 7.4): 4.27; (5)ACD/BCF (pH 5.5): 1040.23; (6)ACD/BCF (pH 7.4): 1040.23; (7)ACD/KOC (pH 5.5): 5026.44; (8)ACD/KOC (pH 7.4): 5026.44; (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: 1.47; (14)Molar Refractivity: 41.02 cm3; (15)Molar Volume: 146.8 cm3; (16)Polarizability: 16.26×10-24cm3; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 1.464 g/cm3; (19)Flash Point: 83.1 °C; (20)Enthalpy of Vaporization: 42.04 kJ/mol; (21)Boiling Point: 202.1 °C at 760 mmHg; (22)Vapour Pressure: 0.422 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)Cl)C(F)(F)F)Cl
(2)InChI: InChI=1S/C7H3Cl2F3/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
(3)InChIKey: MKSYCGMWKMMQPN-UHFFFAOYSA-N