| CAS Number | 56202-22-3 |
| Catalog Number | AG00E759 |
| Chemical Name | 2-Methyl-6-Nitrobenzene-1-Sulfonyl Chloride |
| IUPAC Name | 2-methyl-6-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H6ClNO4S/c1-5-3-2-4-6(9(10)11)7(5)14(8,12)13/h2-4H,1H3 |
| InChI Key | BLIRLAVMSGHPBY-UHFFFAOYSA-N |
| MDL Number | MFCD11505491 |
| Molecular Formula | C7H6ClNO4S |
| Molecular Weight | 235.6448 |
| SMILES | O=S(C1=C([N+]([O-])=O)C=CC=C1C)(Cl)=O |
| Synonyms | 2-methyl-6-nitrobenzenesulfonyl chloride,
2-methyl-6-nitrobenzene-1-sulfonyl chloride,
56202-22-3,
Nitrotoluolsulfochlorid,
AC1Q2D9E,
SCHEMBL8764130,
CTK5I3835,
BLIRLAVMSGHPBY-UHFFFAOYSA-N,
ZINC100574651,
NE30547,
2-methyl-6-nitro-benzenesulfonyl chloride,
FT-0733208,
EN300-39628,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.638g/mol |
| Monoisotopic Mass | 234.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^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
|
H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
UN 3261
|
Certificate of Analysis
Lot Number