Acetic acid, (chlorosulfonyl)-, ethyl ester


Chemical Name: Acetic acid, (chlorosulfonyl)-, ethyl ester
CAS Number: 55896-93-0
Product Number: AG003Q1T(AGN-PC-0NI5G7)
Synonyms:
MDL No: MFCD08458866
Molecular Formula: C4H7ClO4S
Molecular Weight: 186.6140

Identification/Properties


Properties
MP:
16.2 °C(lit.)
BP:
117-118 °C(lit.)
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.371(lit.)
Computed Properties
Molecular Weight:
186.606g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
185.975g/mol
Monoisotopic Mass:
185.975g/mol
Topological Polar Surface Area:
68.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
202
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-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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