| CAS Number | 39819-65-3 |
| Catalog Number | AG003O11(AGN-PC-0RKWDG) |
| Chemical Name | Benzenesulfonic acid nickel salt |
| EC Number | 254-642-3 |
| IUPAC Name | benzenesulfonate;nickel(2+) |
| InChI | InChI=1S/2C6H6O3S.Ni/c2*7-10(8,9)6-4-2-1-3-5-6;/h2*1-5H,(H,7,8,9);/q;;+2/p-2 |
| InChI Key | IBVWKDVFDAWRFU-UHFFFAOYSA-L |
| MDL Number | MFCD00070595 |
| Molecular Formula | C12H10NiO6S2 |
| Molecular Weight | 373.0276 |
| SMILES | O=S(C1=CC=CC=C1)([O-])=O.O=S(C2=CC=CC=C2)([O-])=O.[Ni+2] |
| Synonyms | 39819-65-3,
Benzenesulfonic acid nickel salt,
Nickel(II) Benzenesulfonate,
Nickel bis(benzenesulphonate),
EINECS 254-642-3,
benzenesulfonate;nickel(2+),
2C6H5SO3.Ni,
NICKEL BENZENESULFONATE,
SCHEMBL542091,
CTK5I5447,
5121AF,
MFCD00070595,
Benzenesulfonic Acid Nickel(II) Salt,
Bisbenzenesulfonic acid nickel(II) salt,
B0034,
FT-0739671,
C6H6O3S.1/2Ni,
BENZENESULFONICACIDNICKELSALT,
C6-H6-O3-S.1/2Ni,
nickel(ii) benzenesulfonate hexahydrate,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 373.019g/mol |
| Monoisotopic Mass | 371.927g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
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Hazard Class
|
9
|
|
Hazard statements
|
H360-H372-H317-H334-H341-H350-H410
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P501-P273-P272-P260-P270-P202-P201-P264-P280-P284-P302+P352-P391-P308+P313-P362+P364-P304+P340-P333+P313-P405
|
|
UN Code
|
UN 3077
|
Certificate of Analysis
Lot Number