| CAS Number | 2389-73-3 |
| Catalog Number | AG00BIPH(AGN-PC-03Q9BA) |
| Chemical Name | 4-(Chloromethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-(chloromethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C7H6Cl2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2 |
| InChI Key | JXVJGPMIPPKYAS-UHFFFAOYSA-N |
| MDL Number | MFCD09759025 |
| Molecular Formula | C7H6Cl2O2S |
| Molecular Weight | 225.0923 |
| SMILES | ClCC1=CC=C(S(Cl)(=O)=O)C=C1 |
| Synonyms | 4-(chloromethyl)benzene-1-sulfonyl chloride,
2389-73-3,
4-Chloromethylbenzenesulfonyl chloride,
SCHEMBL396619,
CTK0I7703,
DTXSID00626284,
JXVJGPMIPPKYAS-UHFFFAOYSA-N,
p-chloromethylbenzenesulfonyl chloride,
AKOS006336825,
ZINC100650170,
NE62475,
4-(Chloromethyl)-benzenesulfonyl Chloride,
Benzenesulfonyl chloride, 4-(chloromethyl)-,
EN300-93181,
1-chloromethyl-4-methanesulfonyl-benzene,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.083g/mol |
| Monoisotopic Mass | 223.947g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H314
|
|
Packing Group
|
Ⅱ
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
UN 3261
|
Certificate of Analysis
Lot Number