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HCID 82084Erstellt: 26. Oktober 2026

4-[(4-Isothiocyanatophenyl)azo]-N,N-dimethylanilin

DABITC · 4-((4-ISOTHIOCYANATOPHENYL)AZO)-N N- & · 4-DIMETHYLAMINOAZOBENZENE 4'-ISOTHIOCYANATE · 4-(Dimethylamino)-4'-isothiocyanatoazobenzene · 4-(Dimethylamino)azobenzene 4'-Isothiocyanate · 4-N,N-DIMETHYLAMINOAZOBENZENE-4-ISOTHIOCYANATE · 4-(N,N-Dimethylamino)azobenzene-4'-isothiocyate · N,N-Dimethyl-4'-isothiocyanatoazobenzene-4-amine

https://huagongshe.com/de/chemical/82084

Molekülstruktur von 4-[(4-Isothiocyanatophenyl)azo]-N,N-dimethylanilin

Identifikatoren & physikalische Daten

CAS No.7612-98-8
SummenformelC15H14N4S
Durchschnittliche Molmasse282,4 g/mol
Monoisotopische Masse282,09391745 g/mol
SMILESCN(C)c1ccc(N=Nc2ccc(N=C=S)cc2)cc1
InChIKeyOSWZKAVBSQAVFI-UHFFFAOYSA-N
PubChem CID82084
EC No.231-521-3
DTXSIDDTXSID201039777
Lokaler Name4-[(4-Isothiocyanatophenyl)azo]-N,N-dimethylanilin

Chemische & physikalische Eigenschaften

XLogP5,7
Polarare Oberfläche (TPSA)72,4
H-Brücken-Donoren0
H-Brücken-Akzeptoren5
Frei drehbare Bindungen4
Schwere Atome20
Formalladung0
Komplexität360
Schmelzpunkt167-171 °C(lit.)
Siedepunkt466.2±30.0 °C(Predicted)
Dichte1.2493 (rough estimate)
Brechungsindex1.5700 (estimate)
Lagerbedingungenroom temp
Löslichkeitdioxane: 20 mg/mL, clear, red
pKa (Säurekonstante)3.28±0.10(Predicted)
Aggregatzustandpowder to crystal
FarbeOrange to Brown
BRN752568
Hauptanwendungendiagnostic assay manufacturinghematologyhistology
InChI1S/C15H14N4S/c1-19(2)15-9-7-14(8-10-15)18-17-13-5-3-12(4-6-13)16-11-20/h3-10H,1-2H3/b18-17+
InChIKeyOSWZKAVBSQAVFI-ISLYRVAYSA-N
SMILESCN(C)c1ccc(cc1)\N=N\c2ccc(cc2)N=C=S
CAS Datenbank7612-98-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungDangerH315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (11.4%)
F10-21
Wassergefährdungsklasse (WGK)3
UN-Transportnummer3234
Zollcode29309090
RTECS-Nr.NX9125000
R-Sätze (R)42
GefahrensymboleXn
Sicherheitshinweise (S)22-24/25
GefahrenklasseIRRITANTResp. Sens. 1Skin Sens. 1
Lagerklasse11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

4-(4-Isothiocyanatophenylazo)-N,N-dimethylaniline is a stain/dye. Dyes and metabolites.