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| CAS No.: | 359-32-0 |
|---|---|
| Name: | CHLOROFLUOROACETYL CHLORIDE |
| Molecular Structure: | |
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|
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| Formula: | C2HCl2FO |
| Molecular Weight: | 130.934 |
| Synonyms: | Acetylchloride, chlorofluoro- (8CI,9CI);Chlorofluoroacetyl chloride; |
| Density: | 1.5 g/cm3 |
| Boiling Point: | 71.695 °C at 760 mmHg |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-36/37/38 |
| Safety: | 26-36/37/39-45 |
| PSA: | 17.07000 |
| LogP: | 1.28620 |
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Specification
The Acetyl chloride,2-chloro-2-fluoro- is an organic compound with the formula C2HCl2FO. The IUPAC name of this chemical is 2-chloro-2-fluoroacetyl chloride. With the CAS registry number 359-32-0, it is also named as Chlorofluoroacetyl chloride.
Physical properties about Acetyl chloride,2-chloro-2-fluoro- are: (1)ACD/LogP: 0.63; (2)ACD/LogD (pH 5.5): 0.629; (3)ACD/LogD (pH 7.4): 0.629; (4)ACD/BCF (pH 5.5): 1.77; (5) ACD/BCF (pH 7.4): 1.77; (6)ACD/KOC (pH 5.5): 52.366; (7)ACD/KOC (pH 7.4): 52.366; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.4; (12)Molar Refractivity: 21.165 cm3; (13)Molar Volume: 87.262 cm3; (14)Polarizability: 8.39×10-24cm3; (15)Surface Tension: 27.906 dyne/cm; (16)Density: 1.5 g/cm3; (17)Enthalpy of Vaporization: 31.315 kJ/mol; (18)Boiling Point: 71.695 °C at 760 mmHg; (19)Vapour Pressure: 122.44 mmHg at 25°C.
Preparation: this chemical can be prepared by chloro-fluoro-acetic acid. This reaction will need reagent phthaloyl chloride. The reaction time is 4 hours by heating. The yield is about 88%.
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Uses of Acetyl chloride,2-chloro-2-fluoro-: it can be used to produce chloro-fluoro-acetic acid ethyl ester. The yield is about 48.5%.
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When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: C(C(=O)Cl)(F)Cl
(2)InChI: InChI=1/C2HCl2FO/c3-1(5)2(4)6/h1H
(3)InChIKey: VZJVRCWSIVAASQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C2HCl2FO/c3-1(5)2(4)6/h1H
(5)Std. InChIKey: VZJVRCWSIVAASQ-UHFFFAOYSA-N