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| CAS No.: | 812-01-1 |
|---|---|
| Name: | Methyl chlorosulfonate |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | CH3ClO3S |
| Molecular Weight: | 130.552 |
| Synonyms: | Chlorosulfonicacid, methyl ester (2CI);Methyl chlorosulfate (7CI);Methyl chlorosulfonate(6CI); |
| EINECS: | 212-380-7 |
| Density: | 1.557 g/cm3 |
| Melting Point: | -70°C |
| Boiling Point: | 132.3 °C at 760 mmHg |
| Flash Point: | 33.8 °C |
| Solubility: | insoluble in water |
| PSA: | 51.75000 |
| LogP: | 1.19720 |
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Specification
The Methyl chlorosulfate, also known as Methyl chlorosulphate, is an organic compound with the formula CH3ClO3S. Its EINECS registry number is 212-380-7. With the CAS registry number 812-01-1, its IUPAC name is chlorosulfonyloxymethane.
Physical properties of Methyl chlorosulfate: (1)ACD/LogP: 0.69; (2)ACD/LogD (pH 5.5): 0.69; (3)ACD/LogD (pH 7.4): 0.69; (4)ACD/BCF (pH 5.5): 1.96; (5)ACD/BCF (pH 7.4): 1.96; (6)ACD/KOC (pH 5.5): 56.31; (7)ACD/KOC (pH 7.4): 56.31; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.439; (11)Molar Refractivity: 22.05 cm3; (12)Molar Volume: 83.8 cm3; (13)Surface Tension: 41.8 dyne/cm; (14)Density: 1.557 g/cm3; (15)Flash Point: 33.8 °C; (16)Enthalpy of Vaporization: 35.46 kJ/mol; (17)Boiling Point: 132.3 °C at 760 mmHg; (18)Vapour Pressure: 10.9 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COS(=O)(=O)Cl
(2)InChI: InChI=1S/CH3ClO3S/c1-5-6(2,3)4/h1H3
(3)InChIKey: KNVLCWQKYHCADB-UHFFFAOYSA-N