3,3'-Benzidinedisulfonic acid

HCID 94807

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Basic information

CAS: 3365-90-0
Standard SMILES: Nc1ccc(-c2ccc(N)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O
InChIKey: NFSOOPQRTBEFDR-UHFFFAOYSA-N
Molecular formula: C12H12N2O6S2
Average molar mass: 344.4 g/mol
Monoisotopic mass: 344.01367845

Names & identifiers

Preferred name: 3,3'-Benzidinedisulfonic acid
IUPAC: 2-amino-5-(4-amino-3-sulfophenyl)benzenesulfonic acid
English name: 4,4'-diamino-3,3'-biphenyldisulfonic acid
Molecular formula: C12H12N2O6S2
Molecular weight: 344.36

Names & synonyms

4,4'-DIAMINO-[1,1'-BIPHENYL]-3,3'-DISULFONIC ACID4,4'-Diaminobiphenyl-3,3'-disulfonic acid3,3'-Benzidinedisulfonic acidUNII-8W0E505HS18W0E505HS1NSC 3740NSC-37404,4'-Diaminediphenyl-(1,1')-3,3'-disulfonic acidDTXSID701873324,4'-Diamino-(1,1'-biphenyl)-3,3'-disulfonic acid4,4'-Diamino[1,1'-biphenyl]-3,3'-disulfonic acid4,4'-DIAMINO(1,1'-BIPHENYL)-3,3'-DISULFONIC ACID

Show more names

DK7712Benzidine-3,3''-disulfonic acid4,4'-diaminobiphenyl-3,3'-disulphonic acid4,4'-diamino-[1,1'-biphenyl]-3,3'-disulfonylacid

RefChem:90656DTXCID801098233365-90-02-amino-5-(4-amino-3-sulfophenyl)benzenesulfonic acid4,4'-DIAMINO-3,3'-BIPHENYLDISULFONIC ACIDMFCD01026108[1,1'-Biphenyl]-3,3'-disulfonicacid, 4,4'-diamino-3,3'-Biphenyldisulfonic acid, 4,4'-diamino-

Database identifiers

CAS: 3365-90-0
PubChem CID: 94807
DTXSID: DTXSID70187332
ChEMBL: CHEMBL467238
UNII: 8W0E505HS1
Nikkaji: J3.052J

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 178 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 540

Physicochemical properties

Density: 1.681 · 1.681±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: -1.97 · -1.97±0.50(Predicted)
Appearance: Off-white to gray Solid
InChI: InChI=1S/C12H12N2O6S2/c13-9-3-1-7(5-11(9)21(15,16)17)8-2-4-10(14)12(6-8)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20)
InChIKey: NFSOOPQRTBEFDR-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(N)C(S(O)(=O)=O)=C2)=CC=C(N)C(S(O)(=O)=O)=C1
FDA UNII: 8 W0E505HS1 · 8W0E505HS1

Chemistry & industry

Applications · 2 items

Description4,4'-diamino-3,3'-biphenyldisulfonic acid is virtually insoluble in alcohol and ether, very slightly soluble in boiling water. Benzidine-3,3' -disulfonic acid is made by reacting one part of benzidine sulfate with two parts of sulfuric acid monohydrate at 210 ℃.

Uses4,4'-Diamino-3,3'-biphenyldisulfonic acid is used as a ligand in the synthesis of MOF materials.

Upstream & downstream products

Downstream products

Direct Orange 4 [1,1'-Biphenyl]-3,3'-disulfonic acid, 4,4'-bis[[1-hydroxy-6-[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]-3-sulfo-2-naphthalenyl]azo]-, hexasodium salt Benzoic acid, 4-[[7-[[4-[[4'-[[4-[(7-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo]-5-methoxy-2-methylphenyl]azo]-3,3'-disulfo[1,1'-biphenyl]-4-yl]azo]-2-methoxy-5-methylphenyl]azo]-8-hydroxy-6-sulfo-2-naphthalenyl]amino]-, hexasodium salt

Suppliers43 total

上海康恩博医药科技有限公司17510465506 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

Related reactions

1 records

New reaction record

HRID 2381As productuspto-grants-1998_03

Compound notes

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