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| CAS No.: | 359-06-8 |
|---|---|
| Name: | FLUOROACETYL CHLORIDE |
| Molecular Structure: | |
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|
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| Formula: | C2H2ClFO |
| Molecular Weight: | 96.4887 |
| Synonyms: | Acetyl chloride, fluoro-;2-Fluoroacetyl chloride;Chlorid kyseliny fluoroctove;BRN 1739051;HSDB 6327;TL 670; |
| EINECS: | 206-623-6 |
| Density: | 1.278 g/cm3 |
| Boiling Point: | 49.766 °C at 760 mmHg |
| Flash Point: | -16.1 °C |
| Appearance: | Liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-26-35 |
| Safety: | 3/7-9-38-45-53 |
| Transport Information: | UN 2922 |
| PSA: | 17.07000 |
| LogP: | 0.72130 |
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EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.
Specification
The Fluoroacetyl chloride with CAS registry number of 359-06-8 is also known as Acetyl chloride,2-fluoro-. The IUPAC name is 2-Fluoroacetyl chloride. In addition, the formula is C2H2ClFO and the molecular weight is 96.49.
Physical properties about Fluoroacetyl chloride are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.45; (6)ACD/BCF (pH 7.4): 1.45; (7)ACD/KOC (pH 5.5): 45.49; (8)ACD/KOC (pH 7.4): 45.49; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.352; (12)Molar Refractivity: 16.35 cm3; (13)Molar Volume: 75.5 cm3; (14)Surface Tension: 22.6 dyne/cm; (15)Density: 1.277 g/cm3; (16)Enthalpy of Vaporization: 29.33 kJ/mol; (17)Boiling Point: 49.8 °C at 760 mmHg; (18)Vapour Pressure: 294 mmHg at 25 °C.
Preparation of Fluoroacetyl chloride: it is prepared by reaction of fluoroacetic acid. The reaction needs reagent phosphorus V chloride and the yield is about 66%.
Uses of Fluoroacetyl chloride: it is used to produce 2-fluoro-N-hexyl-acetamide by reaction with hexylamine. The reaction occurs with reagent aq. KOH and solvent diethyl ether at the temperature of 5-15 for 5 hours. The yield is about 87%.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(C(=O)Cl)F
2. InChI: InChI=1S/C2H2ClFO/c3-2(5)1-4/h1H2
3. InChIKey: ZBHDTYQJAQDBIH-UHFFFAOYSA-N