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| CAS No.: | 195136-46-0 |
|---|---|
| Name: | 2,4-BIS(TRIFLUOROMETHYL)BENZYL CHLORIDE |
| Molecular Structure: | |
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|
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| Formula: | C9H5ClF6 |
| Molecular Weight: | 262.582 |
| Synonyms: | 2,4-Bis(trifluoromethyl)benzylchloride; |
| Density: | 1.425 g/cm3 |
| Melting Point: | 257-258°C |
| Boiling Point: | 172.1 °C at 760 mmHg |
| Flash Point: | 74.4 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 4.46300 |
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Specification
The Benzene,1-(chloromethyl)-2,4-bis(trifluoromethyl)-, with the CAS registry number 195136-46-0, is also known as 2,4-Bis(trifluoromethyl)benzyl chloride. This chemical's molecular formula is C9H5ClF6 and molecular weight is 262.579419. Its IUPAC name is called 1-(chloromethyl)-2,4-bis(trifluoromethyl)benzene.
Physical properties of Benzene,1-(chloromethyl)-2,4-bis(trifluoromethyl)-: (1)ACD/LogP: 3.91; (2)ACD/LogD (pH 5.5): 3.91; (3)ACD/LogD (pH 7.4): 3.91; (4)ACD/BCF (pH 5.5): 551.89; (5)ACD/BCF (pH 7.4): 551.89; (6)ACD/KOC (pH 5.5): 3193.15; (7)ACD/KOC (pH 7.4): 3193.15; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.413; (10)Molar Refractivity: 45.97 cm3; (11)Molar Volume: 184.1 cm3; (12)Surface Tension: 21.5 dyne/cm; (13)Density: 1.425 g/cm3; (14)Flash Point: 74.4 °C; (15)Enthalpy of Vaporization: 39.17 kJ/mol; (16)Boiling Point: 172.1 °C at 760 mmHg; (17)Vapour Pressure: 1.81 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CCl
(2)InChI: InChI=1S/C9H5ClF6/c10-4-5-1-2-6(8(11,12)13)3-7(5)9(14,15)16/h1-3H,4H2
(3)InChIKey: DPKQSESRNWBUFZ-UHFFFAOYSA-N