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Name |
Methyl (chlorosulfonyl)acetate |
EINECS | N/A |
CAS No. | 56146-83-9 | Density | 1.515 g/cm3 |
PSA | 68.82000 | LogP | 0.80880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C3H5ClO4S | Boiling Point | 228.392 °C at 760 mmHg |
Molecular Weight | 172.589 | Flash Point | 91.928 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 2-chlorosulfonylacetate; |
Article Data | 22 |
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