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

4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline

HCID 82084CAS 7612-98-8

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Grundinformationen

Standard-SMILES: CN(C)c1ccc(N=Nc2ccc(N=C=S)cc2)cc1
InChIKey: OSWZKAVBSQAVFI-UHFFFAOYSA-N
Summenformel: C15H14N4S
Durchschnittliche Molmasse: 282,4 g/mol
Monoisotopische Masse: 282,09391745

Überblick

See also: 4-(Dimethylamino) azobenzyl-4-isothiocyanate (annotation moved to) ... View More ...

Namen und Bezeichner

Bevorzugter Name: 4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline
IUPAC: 4-[(4-isothiocyanatophenyl)diazenyl]-N,N-dimethylaniline
Lokaler Name: 4-[(4-Isothiocyanatophenyl)azo]-N,N-dimethylanilin
Englischer Name: 4-(N,N-Dimethylamino)azobenzene-4'-isothiocyanate
Summenformel: C15H14N4S
Molmasse: 282.36

Namen und Synonyme

4-((4-Isothiocyanatophenyl)azo)-N,N-dimethylaniline4-[(4-isothiocyanatophenyl)azo]-N,N-dimethylanilineRefChem:509509231-521-37612-98-8DABITC4-(N,N-Dimethylamino)azobenzene-4'-isothiocyanate4-(4-Isothiocyanatophenylazo)-N,N-dimethylanilineMFCD000048124-((4-Isothiocyanatophenyl)diazenyl)-N,N-dimethylaniline4-(Dimethylamino)azobenzene 4'-Isothiocyanate4-[(4-isothiocyanatophenyl)diazenyl]-N,N-dimethylaniline

Weitere Namen anzeigen

4-((4-ISOTHIOCYANATOPHENYL)AZO)-N N- &4-DIMETHYLAMINOAZOBENZENE 4'-ISOTHIOCYANATE4-(Dimethylamino)-4'-isothiocyanatoazobenzene4-N,N-DIMETHYLAMINOAZOBENZENE-4-ISOTHIOCYANATE4-(N,N-Dimethylamino)azobenzene-4'-isothiocyateN,N-Dimethyl-4'-isothiocyanatoazobenzene-4-amine4-(Dimethylamino)azobenzene 4'-Isothiocyanate >

4-Dimethylaminoazobenzene-4'-isothiocyanate4-(N,N-DIMETHYLAMINO)AZOBENZENE-4-ISOTHIOCYANATE(E)-4-((4-isothiocyanatophenyl)diazenyl)-N,N-dimethylanilineEINECS 231-521-34-(Dimethylamino)azobenzene-4'-isothiocyanate4-(N,N-Dimethylaminoazobenzene)-4'-isothiocyanateSCHEMBL671704orb2567223

Datenbank-Bezeichner

CAS: 7612-98-8
PubChem CID: 82084
DTXSID: DTXSID201039777
EC Number: 231-521-3
Nikkaji: J208.389B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,7
Polarare Oberfläche (TPSA): 72,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 20
Formalladung: 0
Komplexität: 360

Physikochemische Eigenschaften

Schmelzpunkt: 167 · 167-171 °C(lit.)
Siedepunkt: 466.2 · 466.2±30.0 °C(Predicted)
Dichte: 1.2493 · 1.2493 (rough estimate)
Brechungsindex: 1.57 · 1.5700 (estimate)
storage temp.: room temp
Löslichkeit: 20 mg/mL, · dioxane: 20 mg/mL, clear, red
pka: 3.28 · 3.28±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: Orange to Brown
BRN: 752568 · 752568
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: 1S/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+
InChIKey: OSWZKAVBSQAVFI-ISLYRVAYSA-N
SMILES: CN(C)c1ccc(cc1)\N=N\c2ccc(cc2)N=C=S
CAS Datenbank: 7612 · 7612-98-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (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.