4-(Dimethylamino)benzonitril

4-(Dimethylamino)benzonitrile

HCID 70967

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Grundinformationen

CAS: 1197-19-9
Standard-SMILES: CN(C)c1ccc(C#N)cc1
InChIKey: JYMNQRQQBJIMCV-UHFFFAOYSA-N
Summenformel: C9H10N2
Durchschnittliche Molmasse: 146,19 g/mol
Monoisotopische Masse: 146,08439832

Namen und Bezeichner

Bevorzugter Name: 4-(Dimethylamino)benzonitrile
IUPAC: 4-(dimethylamino)benzonitrile
Lokaler Name: 4-(Dimethylamino)benzonitril
Englischer Name: 4-(Dimethylamino)benzonitrile
Summenformel: C9H10N2
Molmasse: 146.19

Namen und Synonyme

4-(Dimethylamino)benzonitrile1197-19-9Benzonitrile, 4-(dimethylamino)-4-Cyano-N,N-dimethylanilineN,N-Dimethyl-p-cyanoanilineN,N-Dimethyl-4-cyanoanilinep-Cyano-N,N-dimethylanilineBenzonitrile, p-(dimethylamino)-4-(Dimethylamino)benzenecarbonitrilePara(dimethylamino)benzonitrile8391XON0MFNSC-409122

Weitere Namen anzeigen

AKOS B004059aminobenzonitriLTIMTEC-BB SBB008018LABOTEST-BB LT00233151P-(DIMETHYLAMINO)BENZONITRILE

DTXSID40732554-cyanodimethylanilineRefChem:98647para-cyano-N,N-dimethylanilineDTXCID8033514214-819-84-Dimethylaminobenzonitrilep-Dimethylaminobenzonitrile

Datenbank-Bezeichner

CAS: 1197-19-9
PubChem CID: 70967
DTXSID: DTXSID4073255
UNII: 8391XON0MF
EC Number: 214-819-8
Nikkaji: J80.082A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 27 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 158

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitriles

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.2

Vapor Pressure0.02 [mmHg]

Physical DescriptionYellow crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 72 · 72-75 °C(lit.)
Siedepunkt: 318 °C · 318 °C(lit.)
Dichte: 1.3346 · 1.3346 (rough estimate)
Brechungsindex: 1.56 · 1.5600 (estimate)
Flammpunkt: 317 · 317-319°C
storage temp.: 2 · 2-8°C, protect from light
Löslichkeit: soluble in Methanol
Aggregatzustand: Crystalline Powder
pka: 1.61 · 1.61±0.12(Predicted)
Farbe: Light brown
BRN: 971606 · 971606
InChI: InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
InChIKey: JYMNQRQQBJIMCV-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(N(C)C)C=C1
CAS Datenbank: 1197 · 1197-19-9(CAS DataBase Reference)
EPA chemische Informationen: 4 · Benzonitrile, 4-(dimethylamino)- (1197-19-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion and skin absorption; Toxic by inhalation; [Alfa Aesar MSDS] See 2-Amino-5-nitrobenzonitrile and 4-Aminobenzonitrile.

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

Sicherheitsdaten

wgk: 2
ridadr: 3276
hs_code: 29269090
risk_code: 22-36/37/38-43
hazard_code: Xn,Xi
safety_code: 26-36/37-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3