2,4-Diaminobenzenesulfonic acid, calcium salt
Basic information
- CAS
51247-58-6- Standard SMILES
Nc1ccc(S(=O)(=O)[O-])c(N)c1.Nc1ccc(S(=O)(=O)[O-])c(N)c1.[Ca+2]- InChIKey
MOULIFDXMDLHBH-UHFFFAOYSA-L- Molecular formula
- C12H14CaN4O6S2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 413.9980674
Names & identifiers
- Preferred name
- 2,4-Diaminobenzenesulfonic acid, calcium salt
- IUPAC
- calcium bis(2,4-diaminobenzenesulfonate)
- English name
- calcium bis[2,4-diaminobenzenesulphonate]
- Molecular formula
- C12H14CaN4O6S2
- Molecular weight
- 414.47076
Names & synonyms
2,4-Diaminobenzenesulfonic acid, calcium saltRefChem:11778751247-58-6Benzenesulfonic acid, 2,4-diamino-, calcium salt (2:1)calcium;2,4-diaminobenzenesulfonateEINECS 257-082-8DTXSID30890870MOULIFDXMDLHBH-UHFFFAOYSA-LCalcium bis(2,4-diaminobenzenesulphonate)Calcium bis(2,4-diaminobenzene-1-sulfonate)NS00088791Calcium bis[2,4-diaminobenzenesulfonate]
Show more names
calcium bis[2,4-diaminobenzenesulphonate]Bis(2,4-diaminobenzenesulfonic acid)calcium salt
Database identifiers
- CAS
51247-58-6- PubChem CID
- 171002
- DTXSID
DTXSID30890870- EC Number
- 257-082-8
- Nikkaji
- J261.670J
Properties
Computed structural properties
- Topological polar surface area
- 235 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Indirect Additives used in Food Contact Substances
- 2 · 2,4-DIAMINOBENZENESULFONIC ACID, CALCIUM SALT (2:1)
- FDA 21 CFR
- 177.255 · 177.2550
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2,4-diamino-, calcium salt (2:1) (51247-58-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2,4-diamino-, calcium salt (2:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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