Ethanol, 2-chloro-, 4-methylbenzenesulfonate


Chemical Name: Ethanol, 2-chloro-, 4-methylbenzenesulfonate
CAS Number: 80-41-1
Product Number: AG005LZD(AGN-PC-0OIDU8)
Synonyms:
MDL No:
Molecular Formula: C9H11ClO3S
Molecular Weight: 234.6998

Identification/Properties


Properties
MP:
157-161℃
BP:
153°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.529(lit.)
Computed Properties
Molecular Weight:
234.694g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
234.012g/mol
Monoisotopic Mass:
234.012g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
250
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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