| CAS Number | 76653-13-9 |
| Catalog Number | AG00G9YC(AGN-PC-0UA74C) |
| Chemical Name | 2-(4-Chlorophenyl)ethanesulfonyl chloride |
| IUPAC Name | 2-(4-chlorophenyl)ethanesulfonyl chloride |
| InChI | InChI=1S/C8H8Cl2O2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-4H,5-6H2 |
| InChI Key | RDLOYHZHKDCZHO-UHFFFAOYSA-N |
| MDL Number | MFCD04117453 |
| Molecular Formula | C8H8Cl2O2S |
| Molecular Weight | 239.1189 |
| SMILES | ClC1=CC=C(CCS(Cl)(=O)=O)C=C1 |
| Synonyms | 2-(4-chlorophenyl)ethanesulfonyl Chloride,
76653-13-9,
2-(4-Chloro-phenyl)-ethanesulfonyl chloride,
AC1MBWNI,
SCHEMBL105528,
CTK6H0078,
DTXSID00374031,
RDLOYHZHKDCZHO-UHFFFAOYSA-N,
9442AE,
MFCD04117453,
SBB099055,
ZINC95698265,
AKOS006223421,
AB20714,
chloro[2-(4-chlorophenyl)ethyl]sulfone,
2-(4-chlorophenyl)-ethanesulfonyl chloride,
2-(4-chlorophenyl)-ethanesulphonyl chloride,
C8H8Cl2O2S,
CID2757780,
|
| Complexity | 237 |
| 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
|
H302-H312-H314-H332
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
|
|
UN Code
|
UN 1759
|
Certificate of Analysis
Lot Number