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| CAS No.: | 353-49-1 |
|---|---|
| Name: | CARBONYL CHLORIDE FLUORIDE |
| Article Data: | 61 |
| Molecular Structure: | |
|
|
|
| Formula: | CClFO |
| Molecular Weight: | 82.4618 |
| Synonyms: | Carbonylchloride fluoride (6CI,7CI,8CI);Chlorocarbonyl fluoride;Chlorofluoroformaldehyde;Fluorocarbonyl chloride; |
| EINECS: | 206-533-7 |
| Density: | 1.397 g/cm3 |
| Melting Point: | -138 °C |
| Boiling Point: | 42.4 °C at 760 mmHg |
| Hazard Symbols: |
 C;  F
|
| Risk Codes: | 8-34 |
| Safety: | 3/7-9-36/37/39-45 |
| PSA: | 17.07000 |
| LogP: | 1.31470 |
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Specification
The Carbonic chloridefluoride (9CI), with the CAS registry number 353-49-1 and EINECS registry number 206-533-7, has the systematic name of carbonyl chloride fluoride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is CClFO.
The characteristics of Carbonic chloridefluoride (9CI) are as followings: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 4.83; (6)ACD/BCF (pH 7.4): 4.83; (7)ACD/KOC (pH 5.5): 107.45; (8)ACD/KOC (pH 7.4): 107.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.32; (14)Molar Refractivity: 11.72 cm3; (15)Molar Volume: 58.9 cm3; (16)Polarizability: 4.64×10-24cm3; (17)Surface Tension: 20.1 dyne/cm; (18)Density: 1.397 g/cm3; (19)Enthalpy of Vaporization: 28.67 kJ/mol; (20)Boiling Point: 42.4 °C at 760 mmHg; (21)Vapour Pressure: 392 mmHg at 25°C.
Uses of Carbonic chloridefluoride (9CI): It can react with 2,4,6-trimethyl-phenol to produce 2,4,6-trimethylphenyl fluoroformate. This reaction will need the menstruum toluene. The reaction temperature of 60°C, and the yield is about 96.7%.
You should be cautious while dealing with this chemical. It may cause fire if contacting with combustible, and it may also cause burns. Therefore, you had better take the following instructions: Keep container tightly closed in a cool place; Keep container in a well-ventilated place; Wear suitable protective clothing, gloves and eye/face protection, and in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(F)=O
(2)InChI: InChI=1/CClFO/c2-1(3)4
(3)InChIKey: OXVVNXMNLYYMOL-UHFFFAOYAD