3,3'-Benzidinedisulfonic acid

4,4'-Diamino-[1,1'-biphenyl]-3,3'-disulfonic acid · DK7712 · Benzidine-3,3''-disulfonic acid · 4,4'-diamino-3,3'-biphenyldisulfonic acid · 4,4'-Diaminobiphenyl-3,3'-disulfonic acid · 4,4'-diaminobiphenyl-3,3'-disulphonic acid · 4,4'-diamino-[1,1'-biphenyl]-3,3'-disulfonylacid · 4,4'-Diamino-(1,1'-biphenyl)-3,3'-disulfonic acid

https://huagongshe.com/de/chemical/94807

Molekülstruktur von 3,3'-Benzidinedisulfonic acid

Identifikatoren & physikalische Daten

CAS No.	3365-90-0
Summenformel	C12H12N2O6S2
Durchschnittliche Molmasse	344,4 g/mol
Monoisotopische Masse	344,01367845 g/mol
SMILES	Nc1ccc(-c2ccc(N)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O
InChIKey	NFSOOPQRTBEFDR-UHFFFAOYSA-N
PubChem CID	94807
ChEMBL	CHEMBL467238
DTXSID	DTXSID70187332

Chemische & physikalische Eigenschaften

XLogP	0,8
Polarare Oberfläche (TPSA)	178
H-Brücken-Donoren	4
H-Brücken-Akzeptoren	8
Frei drehbare Bindungen	3
Schwere Atome	22
Formalladung	0
Komplexität	540
Dichte	1.681±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C, protect from light
pKa (Säurekonstante)	-1.97±0.50(Predicted)
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

Anwendungen & Verwendung

Beschreibung

4,4'-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 ℃.