Basic information
- CAS
121-48-2- Standard SMILES
O=C(O)c1cc(S(=O)(=O)O)cc(S(=O)(=O)O)c1- InChIKey
LZRAAMHXKXNHEF-UHFFFAOYSA-N- Molecular formula
- C7H6O8S2
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 281.95040949
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-disulfo-
- IUPAC
- 3,5-disulfobenzoic acid
- English name
- 3,5-disulphobenzoic acid
- Molecular formula
- C7H6O8S2
- Molecular weight
- 282.25
Names & synonyms
121-48-2Benzoic acid, 3,5-disulfo-EINECS 204-474-1DTXSID6059524RefChem:565738DTXCID50336703,5-disulfobenzoic acid3,5-Disulphobenzoic acid3,5-disulfo-benzoic acidSCHEMBL698240LZRAAMHXKXNHEF-UHFFFAOYSA-NAKOS015917571
Show more names
Benzomold Impurity 73,5-disulfo-benzoic aci2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)acetic acid
NS00023961
Database identifiers
- CAS
121-48-2- PubChem CID
- 67137
- DTXSID
DTXSID6059524- EC Number
- 204-474-1
- Nikkaji
- J25.854G
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Melting point
- 146 °C · >146°C (dec.)
- Density
- 1.913 · 1.913±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, Under inert atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- pka
- -1.82 · -1.82±0.45(Predicted)
- form
- Solid
- color
- White to Pale Yellow
- Stability
- Hygroscopic
- EPA Substance Registry System
- 3 · Benzoic acid, 3,5-disulfo- (121-48-2)
- 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 InformationBenzoic acid, 3,5-disulfo-: INACTIVE
Applications
Uses3,5-Disulfobenzoic Acidis used in preparation of Dihydroxybenzoic Acid.
Suppliers6 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京耀正医药科技有限公司17721507860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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