N-Cyclohexylanilin
N-Cyclohexylaniline
Grundinformationen
- CAS
1821-36-9- 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 Ų
- 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 · n 20/D 1.560
- Flammpunkt
- 136 °C · 136 °C - closed cup
- 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)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
- 2921420090
- 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.
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