Acetic acid, (chlorosulfonyl)-, methyl ester


Chemical Name: Acetic acid, (chlorosulfonyl)-, methyl ester
CAS Number: 56146-83-9
Product Number: AG00355J(AGN-PC-0091WM)
Synonyms:
MDL No: MFCD00075558
Molecular Formula: C3H5ClO4S
Molecular Weight: 172.5874

Identification/Properties


Properties
BP:
228.392°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
1.466 (20℃)
Computed Properties
Molecular Weight:
172.579g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
171.96g/mol
Monoisotopic Mass:
171.96g/mol
Topological Polar Surface Area:
68.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
188
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3265
Hazard Statements:
H314
Precautionary Statements:
P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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