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| CAS No.: | 53130-44-2 |
|---|---|
| Name: | 2,6-BIS(TRIFLUOROMETHYL)BENZOYL CHLORIDE |
| Molecular Structure: | |
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| Formula: | C9H3ClF6O |
| Molecular Weight: | 276.566 |
| Synonyms: | 2,6-BIS(TRIFLUOROMETHYL)BENZOYL CHLORIDE;2,6-Bis(trifluoromethyl)benzoyl chloride, 97+%;2,6-Bis(trifluoromethyl)benzoyl chloride 98%;2,6-Bis(trifluoromethyl)benzoylchloride98% |
| Density: | 1.512g/cm3 |
| Boiling Point: | 219.4 °C at 760 mmHg |
| Flash Point: | 86.5 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-14 |
| Safety: | 26-36/37/39-60-45-30-20-8 |
| PSA: | 17.07000 |
| LogP: | 4.10320 |
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Specification
The CAS registry number of Benzoylchloride, 2,6-bis(trifluoromethyl)- is 53130-44-2. This chemical's molecular formula is C9H3ClF6O and molecular weight is 276.5629. What's more, both its IUPAC name and systematic name are the same which is called 2,6-Bis(trifluoromethyl)benzoyl chloride.
Physical properties about Benzoylchloride, 2,6-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): 1377.25; (6)ACD/BCF (pH 7.4): 1377.25; (7)ACD/KOC (pH 5.5): 6144.73; (8)ACD/KOC (pH 7.4): 6144.73; (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: 86.5 °C; (19)Enthalpy of Vaporization: 45.58 kJ/mol; (20)Boiling Point: 219.4 °C at 760 mmHg; (21)Vapour Pressure: 0.12 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 it reacts violently with water and causes burns easily. So you can't add water to this product and keep container dry. This material and its container must be disposed before you throw them. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cccc(c1C(Cl)=O)C(F)(F)F
(2) InChI: InChI=1/C9H3ClF6O/c10-7(17)6-4(8(11,12)13)2-1-3-5(6)9(14,15)16/h1-3H
(3) InChIKey: NQMCJGTVZMBTDS-UHFFFAOYAL