CAS 622-33-3 O-Benzylhydroxylamine (HCID 102313)

名称と識別子

優先名称: O-Benzylhydroxylamine
IUPAC: O-benzylhydroxylamine
現地名: (アミノオキシ)フェニルメタン
英語名: O-Benzylhydroxylamine
分子式: C7H9NO
分子量: 123.15

名称と別名

O-Benzylhydroxylamine622-33-3BenzyloxyamineHydroxylamine, o-(phenylmethyl)-O-(Phenylmethyl)hydroxylamineN3HX4J7ZPMDTXSID8073213RefChem:167149DTXCID5043263612-969-2O-benzyl-hydroxylamineMFCD00221709

名称をさらに表示

ベンジルオキシアミンO-ベンジルヒドロキシルアミン(ベンジルオキシ)アミンO-(フェニルメチル)ヒドロキシルアミン(アミノオキシ)フェニルメタンO‐ベンジルヒドロキシルアミンO-ベンジルヒドロキシルアミン, 96%BENZYLOXYAMINE HYDROCHLORIDEO-BENZYLHYDROXYLAMINE HCLSnr 1635AKOS B022277AURORA KA-7528AURORA KA-2549O-BenzyloxyamineBENZYLOXYAMINE HCL

Hydroxylamine, O-benzyl-[(Aminooxy)methyl]benzeneoxybenzylamineCHEMBL443652(Benzyloxy)aminebenzyloxylamineO-benzyloxylaminephenylmethoxyamine

データベース識別子

CAS: 622-33-3
PubChem CID: 102313
DTXSID: DTXSID8073213
ChEMBL: CHEMBL443652
UNII: N3HX4J7ZPM
EC Number: 612-969-2
Nikkaji: J45.679I

物性

構造計算による物性

XLogP: 1.2
極性表面積: 35.3 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: 2
重原子数: 9
形式電荷: 0
複雑度: 69

実験および物理化学的性質

Physical DescriptionColorless to pale yellow liquid; [MSDSonline]

物理化学的性質

融点: 238 °C · 238 °C (subl.)(lit.)
沸点: 110 · 110-112 °C (20 mmHg)
比重(密度): 1 · 1,058 g/cm3
蒸気圧: 2.09 hPa · 2.09 hPa (58 °C)
屈折率: 1.541 · 1.5410
闪点: 118 · 118-119°C/30mm
貯蔵温度: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
溶解性: ジメチルスルホキシド、メタノールに可溶。
酸解離定数(Pka): 4.7 · 4.70±0.70(Predicted)
外見: 液体
色: 無色透明
PH: 8 · 8 (47g/l, H2O)
BRN: 1906691 · 1906691
InChI: InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKey: XYEOALKITRFCJJ-UHFFFAOYSA-N
SMILES: NOCC1=CC=CC=C1
EPAの化学物質情報: Hydroxylamine, O-(phenylmethyl)- (622-33-3)

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H314 (13.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)；Skin Corr. 1B (13.3%)；Skin Irrit. 2 (86.7%)；Eye Irrit. 2 (86.7%)；STOT SE 3 (88.9%)

安全データ

F: 3
wgk: 3
rtecs: NC3040000
ridadr: 2735
hs_code: 2928 00 90
risk_code: 36/37/38-25
hazard_code: Xi,T
safety_code: 22-24/25-45-26
hazard_class: 8
packing_group: Ⅱ
自然発火温度: 260 °C DIN 51794
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSTOT SE 3
ストレージクラス: 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用O-benzylhydroxylamine used in the synthesis of alfa- hydroxybenzylamines from alfa-hydroxyketones. It is also involved in the preparation of hydroxylamines and hydroxyamates.