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| CAS No.: | 2757-23-5 |
|---|---|
| Name: | CHLOROCARBONYLSULFENYL CHLORIDE |
| Article Data: | 13 |
| Molecular Structure: | |
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|
|
| Formula: | CCl2OS |
| Molecular Weight: | 130.982 |
| Synonyms: | Formylchloride, (chlorothio)- (7CI);Formyl thiohypochlorite, chloro- (8CI);(Chlorocarbonyl)sulfenyl chloride;(Chloroformyl)sulfur chloride;(Chlorothio)formyl chloride;1-(Chlorothio)formyl chloride;Chloroformylsulfenyl chloride;Chlorosulfenylcarbonyl chloride;Sulfenylchloride, (chloroformyl)-; |
| EINECS: | 220-415-2 |
| Density: | 1.66 g/cm3 |
| Boiling Point: | 98 °C at 760 mmHg |
| Flash Point: | 53.7 °C |
| Appearance: | Yellow liquid, fuming in moist air |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-37 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 |
| PSA: | 42.37000 |
| LogP: | 2.23220 |
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Specification
The Methane, chloro(chlorothio)oxo-, with the CAS registry number 2757-23-5, is also known as (Chlorothio)formyl chloride. It belongs to the product categories of Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry. Its EINECS number is 220-415-2. This chemical's molecular formula is CCl2OS and molecular weight is 130.98. What's more, its systematic name is chloro(chlorosulfanyl)oxomethane. It should be sealed and stored in a cool and dry place.
Physical properties of Methane, chloro(chlorothio)oxo- are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/BCF (pH 5.5): 46.53; (5)ACD/KOC (pH 5.5): 543.69; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 42.37 Å2; (10)Index of Refraction: 1.53; (11)Molar Refractivity: 24.4 cm3; (12)Molar Volume: 78.9 cm3; (13)Surface Tension: 45.1 dyne/cm; (14)Density: 1.66 g/cm3; (15)Flash Point: 53.7 °C; (16)Enthalpy of Vaporization: 33.74 kJ/mol; (17)Boiling Point: 98 °C at 760 mmHg; (18)Vapour Pressure: 40.7 mmHg at 25°C.
Preparation: this chemical can be prepared by trichloro-methanesulfenyl chloride at the temperature of 45 - 50 °C. This reaction will need reagent H2SO4 and solvent H2O with the reaction time of 6 hours. The yield is about 65%.
Uses of Methane, chloro(chlorothio)oxo-: it can be used to produce 5-thiophen-2-yl-[1,3,4]oxathiazol-2-one at the temperature of 70 - 100 °C. It will need solvent toluene with the reaction time of 8 hours. The yield is about 67%.
When you are using this chemical, please be cautious about it as the following:
It can cause burns. It is irritating to respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, 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: ClC(=O)SCl
(2)InChI: InChI=1S/CCl2OS/c2-1(4)5-3
(3)InChIKey: MNOALXGAYUJNKX-UHFFFAOYSA-N