| CAS Number | 728919-59-3 |
| Catalog Number | AG00FBN4(AGN-PC-0WCRD2) |
| Chemical Name | 2-(3-Chlorophenyl)ethanesulfonyl chloride |
| IUPAC Name | 2-(3-chlorophenyl)ethanesulfonyl chloride |
| InChI | InChI=1S/C8H8Cl2O2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-3,6H,4-5H2 |
| InChI Key | PDUXISISBUJADZ-UHFFFAOYSA-N |
| MDL Number | MFCD04117452 |
| Molecular Formula | C8H8Cl2O2S |
| Molecular Weight | 239.1189 |
| SMILES | ClC1=CC(CCS(Cl)(=O)=O)=CC=C1 |
| Synonyms | 2-(3-chlorophenyl)ethanesulfonyl Chloride,
728919-59-3,
2-(3-Chloro-phenyl)-ethanesulfonyl chloride,
AC1MBWNF,
SCHEMBL3257448,
CTK6H2539,
DTXSID40374030,
PDUXISISBUJADZ-UHFFFAOYSA-N,
MFCD04117452,
ZINC95698266,
AKOS006220690,
AB20710,
3-?Chlorobenzeneethanesulfony?l chloride,
2-(3-Chlorophenyl)ethanesulfonylchloride,
2-(3-chlorophenyl)-ethanesulfonyl chloride,
RT-018665,
A9449,
ST24039306,
2-(3-CHLOROPHENYL)ETHANE-1-SULFONYL CHLORIDE,
CID2757779,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.11g/mol |
| Monoisotopic Mass | 237.962g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
|
|
UN Code
|
UN 1760
|
Certificate of Analysis
Lot Number