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| CAS No.: | 53130-43-1 |
|---|---|
| Name: | 2,4-Bis(trifluoromethyl)benzoyl chloride |
| Article Data: | 1 |
| Molecular Structure: | |
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|
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| Formula: | C9H3ClF6O |
| Molecular Weight: | 276.566 |
| Synonyms: | 2,4-Bis(trifluoromethyl)benzoyl chloride; |
| Density: | 1.512 g/cm3 |
| Boiling Point: | 212.6 °C at 760 mmHg |
| Flash Point: | 82.4 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 23-26-36/37/39-45 |
| PSA: | 17.07000 |
| LogP: | 4.10320 |
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- Total:32 Page 1 of 1 1
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Specification
The CAS registry number of Benzoyl chloride, 2,4-bis(trifluoromethyl)- is 53130-43-1. This chemical's molecular formula is C9H3ClF6O and molecular weight is 276.56. What's more, both its IUPAC name and systematic name are the same which is called 2,4-Bis(trifluoromethyl)benzoyl chloride.
Physical properties about Benzoyl chloride, 2,4-bis(trifluoromethyl)- are: (1)ACD/LogP: 4.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.43; (4)ACD/LogD (pH 7.4): 4.43; (5)ACD/BCF (pH 5.5): 1372.43; (6)ACD/BCF (pH 7.4): 1372.43; (7)ACD/KOC (pH 5.5): 6129.36; (8)ACD/KOC (pH 7.4): 6129.36; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 46.45 cm3; (15)Molar Volume: 182.8 cm3; (16)Surface Tension: 24.1 dyne/cm; (17)Density: 1.512 g/cm3; (18)Flash Point: 82.4 °C; (19)Enthalpy of Vaporization: 44.89 kJ/mol; (20)Boiling Point: 212.6 °C at 760 mmHg; (21)Vapour Pressure: 0.172 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You can not breathe the gas/fumes/vapour/spray. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(ccc1C(Cl)=O)C(F)(F)F
(2) InChI: InChI=1/C9H3ClF6O/c10-7(17)5-2-1-4(8(11,12)13)3-6(5)9(14,15)16/h1-3H
(3) InChIKey: TZXHEDOCQVTEPT-UHFFFAOYAQ