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| CAS No.: | 134151-67-0 |
|---|---|
| Name: | 4-(TRIFLUOROVINYLOXY)BENZOYL CHLORIDE |
| Molecular Structure: | |
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| Formula: | C9H4ClF3O2 |
| Molecular Weight: | 236.5751 |
| Synonyms: | 4-(TRIFLUOROVINYLOXY)BENZOYL CHLORIDE;BENZOYLCHLORIDE,4-[(1,2,2-TRIFLUOROETHENYL)OXY]- |
| Density: | 1.425 g/cm3 |
| Boiling Point: | 221.9 °C at 760 mmHg |
| Flash Point: | 84.3 °C |
| PSA: | 26.30000 |
| LogP: | 3.47950 |
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Specification
The Benzoylchloride,4-[(1,2,2-trifluoroethenyl), with the CAS registry number 134151-67-0, is also known as 4-[(Trifluoroethenyl)oxy]benzoyl chloride. This chemical's molecular formula is C9H4ClF3O2 and molecular weight is 236.5751. What's more, its IUPAC name is 4-(1,2,2-Trifluoroethenoxy)benzoyl chloride .
Physical properties about Benzoylchloride,4-[(1,2,2-trifluoroethenyl) are: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 248.07; (6)ACD/BCF (pH 7.4): 248.07; (7)ACD/KOC (pH 5.5): 1801.52; (8)ACD/KOC (pH 7.4): 1801.52; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 48.04 cm3; (15)Molar Volume: 165.9 cm3; (16)Polarizability: 19.04×10-24cm3; (17)Surface Tension: 32.3 dyne/cm; (18)Density: 1.425 g/cm3; (19)Flash Point: 84.3 °C; (20)Enthalpy of Vaporization: 45.83 kJ/mol; (21)Boiling Point: 221.9 °C at 760 mmHg; (22)Vapour Pressure: 0.105 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: F/C(Oc1ccc(cc1)C(Cl)=O)=C(/F)F
(2) InChI: InChI=1/C9H4ClF3O2/c10-7(14)5-1-3-6(4-2-5)15-9(13)8(11)12/h1-4H
(3) InChIKey: URKWITSBCNASJX-UHFFFAOYAH