Dibenzylhydroxylamine (HCID 69297)

名称と識別子

優先名称: Dibenzylhydroxylamine
IUPAC: N,N-dibenzylhydroxylamine
現地名: N,N-ジベンジルヒドロキシルアミン
英語名: N,N-Dibenzylhydroxylamine
分子式: C14H15NO
分子量: 213.27

名称と別名

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

名称をさらに表示

N,N-ジベンジルヒドロキシルアミンジベンジルヒドロキシアミンジベンジルヒドロキシルアミン1,2-ビス(4-エチルフェニル)ジアゼンビス(4-エチルフェニル)ジアゼン4,4′-ジエチルアゾベンゼンジベンジル(ヒドロキシ)アミン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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.8
極性表面積: 23.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 163

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

物理化学的性質

融点: 125 · 125-128 °C (lit.)
沸点: 353.27 °C · 353.27°C (rough estimate)
比重(密度): 1.0439 · 1.0439 (rough estimate)
屈折率: 1.53 · 1.5300 (estimate)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
水溶解度: Insoluble in water
外見: powder to crystal
酸解離定数(Pka): 13.19 · 13.19±0.69(Predicted)
色: 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 データベース: 621 · 621-07-8(CAS DataBase Reference)
NISTの化学物質情報: Hydroxylamine, n,n-dibenzyl-,(621-07-8)
EPAの化学物質情報: Benzenemethanamine, N-hydroxy-N-(phenylmethyl)- (621-07-8)

化学的性質

化学的特性white to slightly yellow adhering crystalline

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 2928.00.2500
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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

応用分野

使用N,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.

調製方法 · 1 件

製造方法A 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].