| CAS Number | 875167-01-4 |
| Catalog Number | AG008C5A(AGN-PC-09QWDE) |
| Chemical Name | 3-Chloro-5-(trifluoromethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-chloro-5-(trifluoromethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C7H3Cl2F3O2S/c8-5-1-4(7(10,11)12)2-6(3-5)15(9,13)14/h1-3H |
| InChI Key | JYUGVORTFRFETG-UHFFFAOYSA-N |
| MDL Number | MFCD13185471 |
| Molecular Formula | C7H3Cl2F3O2S |
| Molecular Weight | 279.0637 |
| SMILES | O=S(C1=CC(C(F)(F)F)=CC(Cl)=C1)(Cl)=O |
| Synonyms | 875167-01-4,
3-chloro-5-(trifluoromethyl)benzene-1-sulfonyl chloride,
3-Chloro-5-(trifluoromethyl)benzenesulphonyl chloride,
3-CHLORO-5-TRIFLUOROMETHYLPHENYLSULFONYL CHLORIDE,
3-Chloro-5-(trifluoromethyl)benzenesulphonylchloride,
SCHEMBL2055460,
CTK5F8585,
DTXSID80693494,
CL8906,
FC0924,
MFCD13185471,
AKOS030527386,
ZINC100502278,
AB66747,
AS-46134,
X-3680,
3-CHLORO-5-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE,
A10423,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.918g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.054g/mol |
| Monoisotopic Mass | 277.918g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
UN 1759
|
Certificate of Analysis
Lot Number