Dibenzylhydroxylamine (HCID 69297)

Namen und Bezeichner

Bevorzugter Name: Dibenzylhydroxylamine
IUPAC: N,N-dibenzylhydroxylamine
Lokaler Name: N,N-Dibenzylhydroxylamin
Englischer Name: N,N-Dibenzylhydroxylamine
Summenformel: C14H15NO
Molmasse: 213.27

Namen und Synonyme

N,N-Dibenzylhydroxylamine621-07-8DibenzylhydroxylamineBenzenemethanamine, N-hydroxy-N-(phenylmethyl)-Hydroxylamine, N,N-dibenzyl-FWX35J4X22EINECS 210-667-1NSC 93968NSC-93968N-HYDROXYDIBENZYLAMINEN-HYDROXY-N-(PHENYLMETHYL)BENZENEMETHANAMINERefChem:586461

Weitere Namen anzeigen

TIMTEC-BB SBB000533DibenzylhydroxyamineN,N-DibenzylhydroxylN-HydroxydibenzylaminDIBENZYL HYDROXYLAMINEN,N-DibenzylhydroxylamiN,N-DIBENZYLHYDROXYAMINEbis(4-ethylphenyl)diazene

210-667-1bisbenzylhydroxylamineN-Benzyl-N-hydroxy-1-phenylmethanamineDTXSID3044702N.N-dibenzylhydroxylamineMaybridge3_004477MFCD00004772N,N-bis(phenylmethyl)hydroxylamine

Datenbank-Bezeichner

CAS: 621-07-8
PubChem CID: 69297
DTXSID: DTXSID3044702
ChEMBL: CHEMBL449306
UNII: FWX35J4X22
EC Number: 210-667-1
Nikkaji: J79.755C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 163

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Schmelzpunkt: 125 · 125-128 °C (lit.)
Siedepunkt: 353.27 °C · 353.27°C (rough estimate)
Dichte: 1.0439 · 1.0439 (rough estimate)
Brechungsindex: 1.53 · 1.5300 (estimate)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Wasserlöslichkeit: Insoluble in water
Aggregatzustand: powder to crystal
pka: 13.19 · 13.19±0.69(Predicted)
Farbe: White to Almost white
BRN: 978234 · 978234
InChI: InChI=1S/C14H15NO/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKey: GXELTROTKVKZBQ-UHFFFAOYSA-N
SMILES: C1(CN(O)CC2=CC=CC=C2)=CC=CC=C1
CAS Datenbank: 621 · 621-07-8(CAS DataBase Reference)
NIST chemische Informationen: Hydroxylamine, n,n-dibenzyl-,(621-07-8)
EPA chemische Informationen: Benzenemethanamine, N-hydroxy-N-(phenylmethyl)- (621-07-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 12.3% (7 of 57) of reports.

Warning

H315 (87.7%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 57 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzenemethanamine, N-hydroxy-N-(phenylmethyl)-

Benzenemethanamine, N-hydroxy-N-(phenylmethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (87.7%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 2928.00.2500
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenemethanamine, N-hydroxy-N-(phenylmethyl)-: ACTIVE

Anwendungen

VerwendenN,N-Dibenzylhydroxylamine, upon oxidation, yields N-benzyl-α-phenylnitrone, which can undergo cycloaddition reaction with suitable dipolarophiles. It can be used to synthesize N,N,O-trisubstituted hydroxylamines and arylamines.

Darstellung · 1 Eintrag

synthetischeA mixture of 14 gm (0.202 mole) of hydroxylamine hydrochloride and 50 gm (0.395 mole) of benzyl chloride in 200 ml of 70% ethanol is treated with 60 gm of crystalline sodium carbonate. The mixture is heated under a reflux condenser for 2 hr, cooled to room temperature, filtered, and the solids discarded. The filtrate is treated with sufficient ice water to cause precipitation of A^N-dibenzylhydroxylamine. The reaction mixture is then thoroughly cooled in a freezing mixture to permit complete precipitation of product to take place. The yield, upon filtration, is 26 gm (61.5%), m.p. 123°C. A similar preparation has recently been reported [13a].