Methyl (chlorosulfonyl)acetate supplier

Name
Methyl (chlorosulfonyl)acetate
EINECS
CAS No. 56146-83-9
Article Data22
CAS DataBase
Density 1.515 g/cm³
Solubility
Melting Point
Formula C₃H₅ClO₄S
Boiling Point 228.392 °C at 760 mmHg
Molecular Weight 172.589
Flash Point 91.928 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2-chlorosulfonylacetate;
PSA 68.82000
LogP 0.80880

Methyl (chlorosulfonyl)acetate Specification

The Methyl (chlorosulfonyl)acetate, with the CAS registry number 56146-83-9, is also known as Acetic acid, 2-(chlorosulfonyl)-, methyl ester. This chemical's molecular formula is C₃H₅ClO₄S and molecular weight is 171.96. What's more, its IUPAC name is called Methyl 2-chlorosulfonylacetate.

Physical properties about Methyl (chlorosulfonyl)acetate are: (1)ACD/LogP: 0.335; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1.06; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 36.25; (8)ACD/KOC (pH 7.4): 36.25; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.82 Å²; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 31.438 cm³; (15)Molar Volume: 113.955 cm³; (16)Polarizability: 12.463×10^-24cm³; (17)Surface Tension: 46.68 dyne/cm; (18)Density: 1.515 g/cm³; (19)Flash Point: 91.928 °C; (20)Enthalpy of Vaporization: 46.498 kJ/mol; (21)Boiling Point: 228.392 °C at 760 mmHg; (22)Vapour Pressure: 0.0740 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)CS(Cl)(=O)=O
(2) InChI: InChI=1S/C3H5ClO4S/c1-8-3(5)2-9(4,6)7/h2H2,1H3
(3) InChIKey: YBIPZPBGAGTBGK-UHFFFAOYSA-N

Product Name

Methyl (chlorosulfonyl)acetate

Methyl (chlorosulfonyl)acetate Specification

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