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2,2'-Benzidinedisulfonic acid

HCID 8337
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Grundinformationen

CAS
117-61-3
Standard-SMILES
Nc1ccc(-c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1
InChIKey
MBJAPGAZEWPEFB-UHFFFAOYSA-N
Summenformel
C12H12N2O6S2
Durchschnittliche Molmasse
344,4 g/mol
Monoisotopische Masse
344,0136781

Überblick

Leaflets or prisms or light purple powder. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
2,2'-Benzidinedisulfonic acid
IUPAC
5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid
Englischer Name
2,2'-Benzidinedisulfonic acid
Summenformel
C12H12N2O6S2
Molmasse
344.36

Namen und Synonyme

117-61-3Benzidine-2,2'-disulfonic acid2,2'-Benzidinedisulfonic acid6,6'-Bimetanilic acid2,2'-Disulfobenzidine4,4'-Diamino-[1,1'-biphenyl]-2,2'-disulfonic acid[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino-Benzidine-2,2'-disulphonic acid4,4'-Diaminobiphenyl-2,2'-disulfonic acidBenzidine, 2,2'-disulfo-4,4'-Diamino-2,2'-biphenyldisulfonic acidKyselina benzidin-2,2'-disulfonova
Weitere Namen anzeigen
BDSABENZIDINE 2,2 DISULFONIC ACID70.0%(T)2,2'-BenzidinedisulfBenzidine-2,2'-disuL2,2’-disulfo-benzidinBENZIDINEDISULPHONICACIDBiphenylaminesulfonic acid
NSC 37634,4'-Diaminodiphenyl-2,2'-disulfonic acidEINECS 204-200-0ALF643N2EQBRN 2675524AI3-220514,4'-Diamino-(1,1'-biphenyl)-2,2'-disulfonic acidKyselina benzidin-2,2'-disulfonova [Czech]

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,3
Polarare Oberfläche (TPSA)
178 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
3
Schwere Atome
22
Formalladung
0
Komplexität
540

Experimentelle und physikochemische Eigenschaften

Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point347 °F (decomposes) (NTP, 1992)
Physical DescriptionLeaflets or prisms or light purple powder. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
175 °C · 175°C
Siedepunkt
638.25 ℃[at · 638.25℃[at 101 325 Pa]
Dichte
1.5417 · 1.5417 (rough estimate)
Dampfdruck
0 Pa · 0Pa at 25℃
Brechungsindex
1.651 · 1.6510 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
-1.85 · -1.85±0.50(Predicted)
Aggregatzustand
Powder
Farbe
Dark purple
Wasserlöslichkeit

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 19.3% (11 of 57) of reports.

Warning

H315 (10.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Cease Manufacture Update: 04-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12572
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include eye irritation.
Reactive GroupSulfonates, Phosphonates, and Thiophosphonates, Organic
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (10.5%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information[1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden4,4'-Diaminobiphenyl-2,2'-disulfonic acid hydrate is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff. Benzidine-2,2' -disulfonic acid is used in the production of yellow and red azo dyes.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

3-Nitrobenzolsulfonsure

Nachgelagerte Produkte

REACTIVE ORANGE 84Dinatrium-4,4'-bis(2-hydroxynaphthalin-1-ylazo)biphenyl-2,6'-disulfonat4,4'-Bis[(2-methyl-1H-indol-3-yl)azo]-1,1'-biphenyl-2,2'-disulfonic acid disodium salttrisodium 4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-2,2'-disulphonateDinatrium-4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4'-[(2-hydroxy-1-naphthyl)azo][1,1'-biphenyl]-2,2'-disulfonat

Zugehörige Reaktionen

2
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 1278512
HRID 1278512als Eduktuspto-grants-2002_09
Reaktionsgleichung von HRID 1278513
HRID 1278513als Eduktuspto-grants-2002_09

Notizen zur Verbindung

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Datenbank-Bezeichner

CAS
117-61-3
PubChem CID
8337
DTXSID
DTXSID3024572
UNII
ALF643N2EQ
EC Number
204-200-0
Nikkaji
J5.292B
0.1 g/100 · <0.1 g/100 mL at 20 ºC
InChI
InChI=1S/C12H12N2O6S2/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20)
InChIKey
MBJAPGAZEWPEFB-UHFFFAOYSA-N
SMILES
C1(C2=CC=C(N)C=C2S(O)(=O)=O)=CC=C(N)C=C1S(O)(=O)=O
LogP
1.102 at · 1.102 at 24℃
CAS Datenbank
117 · 117-61-3(CAS DataBase Reference)
EPA chemische Informationen
1 · [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino- (117-61-3)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

tsca
TSCA listed
hs_code
29215900
RTECS-Nr.
DV5230000
risk_code
20/21/22-37/38-36-36/37/38
Toxizität
eye-rbt 500 mg/24H SEV 28ZPAK -,191,72
hazard_code
Xi
safety_code
22-26-36-60-37
Tetranatrium-5,5'-[(2,2'-disulfonato[1,1'-biphenyl]-4,4'-diyl)bis(azo)]disalicylat
4,4'-Bis[[2-hydroxy-3-[(phenylamino)carbonyl]-1-naphthyl]azo][1,1'-biphenyl]-2,2'-disulfondinatriumsure
Acid Red 444
Dinatrium-4,4'-bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-ylazo)-1,1'-biphenyl-2,6'-disulfonat