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| CAS No.: | 80245-33-6 |
|---|---|
| Name: | 1,2-Dichloro-5-methyl-3-trifluoromethyl-benzene |
| Molecular Structure: | |
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| Formula: | C8H5Cl2F3 |
| Molecular Weight: | 229.029 |
| Synonyms: | 1,2-Dichloro-5-methyl-3-trifluoromethyl-benzene; |
| Density: | 1.404 g/cm3 |
| Boiling Point: | 207.7 °C at 760 mmHg |
| Flash Point: | 91.8 °C |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 4.32060 |
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Specification
The CAS register number of 1,2-Dichloro-5-methyl-3-trifluoromethyl-benzene is 80245-33-6. It also can be called as Benzene, 1,2-dichloro-5-methyl-3-(trifluoromethyl)- and the systematic name about this chemical is 1,2-dichloro-5-methyl-3-(trifluoromethyl)benzene. The molecular formula about this chemical is C8H5Cl2F3 and molecular weight is 229.03.
Physical properties about 1,2-Dichloro-5-methyl-3-trifluoromethyl-benzene are: (1)ACD/LogP: 4.65; (2)ACD/LogD (pH 5.5): 4.65; (3)ACD/LogD (pH 7.4): 4.65; (4)ACD/BCF (pH 5.5): 2011.93; (5)ACD/BCF (pH 7.4): 2011.93; (6)ACD/KOC (pH 5.5): 8059.78; (7)ACD/KOC (pH 7.4): 8059.78; (8)Index of Refraction: 1.474; (9)Molar Refractivity: 45.84 cm3; (10)Molar Volume: 163.1 cm3; (11)Polarizability: 18.17x10-24cm3; (12)Surface Tension: 27.5 dyne/cm; (13)Enthalpy of Vaporization: 42.59 kJ/mol; (14)Boiling Point: 207.7 °C at 760 mmHg; (15)Vapour Pressure: 0.319 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation or in contact with skin and if swallowed. This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. 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: Clc1c(cc(C)cc1Cl)C(F)(F)F
(2)InChI: InChI=1/C8H5Cl2F3/c1-4-2-5(8(11,12)13)7(10)6(9)3-4/h2-3H,1H3
(3)InChIKey: DLESTTCLFWLCBX-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H5Cl2F3/c1-4-2-5(8(11,12)13)7(10)6(9)3-4/h2-3H,1H3
(5)Std. InChIKey: DLESTTCLFWLCBX-UHFFFAOYSA-N