N-Cyclohexylanilin

N-Cyclohexylaniline

HCID 74567CAS 1821-36-9

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Grundinformationen

Standard-SMILES: c1ccc(NC2CCCCC2)cc1
InChIKey: TXTHKGMZDDTZFD-UHFFFAOYSA-N
Summenformel: C12H17N
Durchschnittliche Molmasse: 175,27 g/mol
Monoisotopische Masse: 175,13609954

Namen und Bezeichner

Bevorzugter Name: N-Cyclohexylaniline
IUPAC: N-cyclohexylaniline
Lokaler Name: N-Cyclohexylanilin
Englischer Name: N-Cyclohexylaniline
Summenformel: C12H17N
Molmasse: 175.27

Namen und Synonyme

N-CyclohexylanilineBenzenamine, N-cyclohexyl-CyclohexylphenylamineN-CyclohexylbenzenaminePhenylcyclohexylamineEINECS 217-344-4DTXSID6061997RefChem:163156DTXCID0035792217-344-4TXTHKGMZDDTZFD-UHFFFAOYSA-N1821-36-9

Weitere Namen anzeigen

N-CyclohexyIanilineN1-CYCLOHEXYLANILINEPHENYL CYCLOHEXYLAMINEN-Cyclohexylaniline,98%N-Phenylcyclohexanaminen-cyclohexyl-benzenamin

N-PhenylcyclohexylamineAniline, N-cyclohexyl-Cyclohexylamine, N-phenyl-Cyclohexanamine, N-phenyl-Diphenylamine, ar-hexahydro-cyclohexyl(phenyl)amineMFCD00014284N-Cyclohexyl-Benzenamine

Datenbank-Bezeichner

CAS: 1821-36-9
PubChem CID: 74567
DTXSID: DTXSID6061997
UNII: 949TFM4PMV
EC Number: 217-344-4
Nikkaji: J68.528C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 132

Physikochemische Eigenschaften

Schmelzpunkt: 14 · 14-15°C
Siedepunkt: 191 · 191-192 °C (73 mmHg)
Dichte: 0.996 g/mL · 0.996 g/mL at 20 °C (lit.)
Brechungsindex: 20 · n20/D 1.560
Flammpunkt: 136 °C · 136 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 5.46 · 5.46±0.20(Predicted)
Aggregatzustand: liquid
Farbe: Orange
Wasserlöslichkeit: Not miscible or difficult to mix in water.
BRN: 2209864 · 2209864
InChI: InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2
InChIKey: TXTHKGMZDDTZFD-UHFFFAOYSA-N
SMILES: C1(NC2CCCCC2)=CC=CC=C1
CAS Datenbank: 1821 · 1821-36-9(CAS DataBase Reference)
EPA chemische Informationen: N-Cyclohexylaniline (1821-36-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (74.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 177 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationBenzenamine, N-cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (99.4%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29214900
risk_code: 20/21/22
hazard_code: Xn
safety_code: 23-36/37
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 OralSkin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenamine, N-cyclohexyl-: ACTIVE

Anwendungen

VerwendenN-Cyclohexylaniline has been used as reagent in palladium-catalyzed amination of aromatic bromides. It is also used to produce N-cyclohexyl-N-phenyl-urea at ambient temperature.