4-(Dimethylamino)phenyl isocyanate

HCID 2733372CAS 16315-59-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CN(C)c1ccc(N=C=O)cc1
InChIKey: YZEHDFBYSOKBED-UHFFFAOYSA-N
Summenformel: C9H10N2O
Durchschnittliche Molmasse: 162,19 g/mol
Monoisotopische Masse: 162,07931294

Namen und Bezeichner

Bevorzugter Name: 4-(Dimethylamino)phenyl isocyanate
IUPAC: 4-isocyanato-N,N-dimethylaniline
Englischer Name: 4-DIMETHYLAMINOPHENYL ISOCYANATE
Summenformel: C9H10N2O
Molmasse: 162.19

Namen und Synonyme

4-(Dimethylamino)phenyl isocyanateRefChem:515984626-663-116315-59-64-isocyanato-N,N-dimethylaniline4-DIMETHYLAMINOPHENYL ISOCYANATE4-DimethlaminophenylisocyanateBenzenamine, 4-isocyanato-N,N-dimethyl-MFCD00673054(4-isocyanato-phenyl)-dimethyl-amine4-Dimethlaminophenyl isocyanate4-Isocyanato-N,N-dimethyl-benzenamine

Weitere Namen anzeigen

4-(Dimethylamino)phenyl isocyanate,97%4-(DIMETHYLAMINO)PHENYL ISOCYANATE 97%4-(Dimethylamino)phenyl isocyanate, GC 97%4-(DiMethylaMino)phenyl isocyanate, 97% 500MG4-DIMETHYLAMINOPHENYL ISOCYANATE ISO 9001：2015 REACH

4-dimethylaminophenylisocyanateSCHEMBL1639924-dimethylamino-phenylisocyanate4-Isocyanato-N,N-dimethylanilin4-(dimethylamino)benzenisocyanate4-(dimethylamino)phenylisocyanate4-dimethylamino phenyl isocyanate4-dimethylamino-phenyl-isocyanate

Datenbank-Bezeichner

CAS: 16315-59-6
PubChem CID: 2733372
DTXSID: DTXSID90369870
EC Number: 626-663-1
Nikkaji: J2.164.453F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 32,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 177

Physikochemische Eigenschaften

Schmelzpunkt: 36 · 36-40 °C(lit.)
Siedepunkt: 66 °C0.3 · 66 °C0.3 mm Hg(lit.)
Dichte: 1.1436 · 1.1436 (rough estimate)
Brechungsindex: 1.56 · 1.5600 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: -20 °C · -20°C
pka: 4.34 · 4.34±0.24(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.