(N,N-Diethylanilin)trihydrobor

Diethylaniline-borane

HCID 83312CAS 13289-97-9

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Grundinformationen

Standard-SMILES: B.CCN(CC)c1ccccc1
InChIKey: YPWBYWNNJVSNPQ-UHFFFAOYSA-N
Summenformel: C10H18BN
Durchschnittliche Molmasse: 163,07 g/mol
Monoisotopische Masse: 163,1532297

Namen und Bezeichner

Bevorzugter Name: Diethylaniline-borane
IUPAC: borane;N,N-diethylaniline
Lokaler Name: (N,N-Diethylanilin)trihydrobor
Englischer Name: Borane-N,N-diethylaniline complex
Summenformel: C10H18BN
Molmasse: 163.07

Namen und Synonyme

diethylaniline-boraneborane;N,N-diethylanilineC10H18BNN,N-DIETHYLANILINE BORANEaniLBORANE-N,N-DIETHYLANILINEN, N diethylaniline borane complexine compLBorane-N,N-diethyLboron,N,N-diethylanilineDiethylphenylamine-boraneN,N-DiethylanilineBorane>n,n-diethylanilineborane,deanb

Datenbank-Bezeichner

CAS: 13289-97-9
PubChem CID: 83312
DTXSID: DTXSID8065400

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 91

Physikochemische Eigenschaften

Schmelzpunkt: 30 · −30-−27 °C(lit.)
Dichte: 0.917 g/mL · 0.917 g/mL at 25 °C(lit.)
Brechungsindex: 1.5245 · 1.5245-1.5265
Flammpunkt: 70 °F · 70 °F
storage temp.: Refrigerator
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
Wasserlöslichkeit: MAY DECOMPOSE
InChI: InChI=1S/C10H18BN/c1-3-12(11,4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2,11H3
InChIKey: YPWBYWNNJVSNPQ-UHFFFAOYSA-N
SMILES: N(C1C=CC=CC=1)(CC)(CC)[B+3]([H-])([H-])[H-]
CAS Datenbank: 13289 · 13289-97-9(CAS DataBase Reference)
EPA chemische Informationen: Boron, (N,N-diethylbenzenamine)trihydro-, (T-4)- (13289-97-9)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3398 4.3/PG 2
hs_code: 29299090
risk_code: 10-14-51/53-33-23/24/25-14/15
safety_code: 16-33-36/37/39-43-9-61-45-28A-8
hazard_class: 3.1
packing_group: II
Speicherklasse: 4.3 - Hazardous materials which set free flammable gases upon contact with water
Hazard Classifications: Flam. Liq. 2Water-react 2

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for: Diastereoselective reduction of prochiral enone intermediatesBorylation of aryl halidesReductions of ketones, acids, esters, amides, and nitrilesInvestigations of borane source on enantioselectivity in enantiopure oxazaborolidine-catalyzed asymmetric borane reduction of ketonesReactant for synthesis of:Chromanol derivatives as CETP inhibitors for the treatment of cardiovascular disease Allylic alcohols via enantioselective reductionsPinacolboranes for one-pot synthesis of unsymmetrical biaryls