| CAS Number | 36035-01-5 |
| Catalog Number | AG019XAY(AGN-PC-03FNNQ) |
| Chemical Name | 5-Nitrothiophene-2-sulphonyl chloride |
| IUPAC Name | 5-nitrothiophene-2-sulfonyl chloride |
| InChI | InChI=1S/C4H2ClNO4S2/c5-12(9,10)4-2-1-3(11-4)6(7)8/h1-2H |
| InChI Key | QEEBODDKEOIYLQ-UHFFFAOYSA-N |
| MDL Number | MFCD13196086 |
| Molecular Formula | C4H2ClNO4S2 |
| Molecular Weight | 227.6460 |
| SMILES | [O-][N+](C1SC(S(Cl)(=O)=O)=CC=1)=O |
| Synonyms | 5-nitrothiophene-2-sulfonyl chloride,
36035-01-5,
2-Thiophenesulfonyl chloride, 5-nitro-,
AC1Q1XVD,
SCHEMBL17154,
CTK1B6548,
DTXSID70618035,
QEEBODDKEOIYLQ-UHFFFAOYSA-N,
5-nitro-2-thiophenesulfonyl chloride,
5-nitro-thiophene-2-sulfonyl chloride,
AKOS006220688,
ZINC100003151,
NE37756,
EN300-54520,
F1694-0010,
5-nitrothiophene-2-sulphonyl chloride,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.911g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.633g/mol |
| Monoisotopic Mass | 226.911g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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 3261
|
Certificate of Analysis
Lot Number