Hydroxylamine, O-((4-nitrophenyl)methyl)-, hydrochloride (1:1)

HCID 74967CAS 2086-26-2

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.NOCc1ccc([N+](=O)[O-])cc1
InChIKey: LKCAFSOYOMFQSL-UHFFFAOYSA-N
分子式: C7H9ClN2O3
平均分子量: 204.61 g/mol
単同位体質量: 204.03016983

概要

RN given refers to HCl; RN for parent cpd not in Chemline 8/1/83; structure given in first source

名称と識別子

優先名称: Hydroxylamine, O-((4-nitrophenyl)methyl)-, hydrochloride (1:1)
IUPAC: O-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride

名称と別名

2086-26-24-NitrobenzyloxyamineO-nitrobenzylhydroxylaminePara-nitrobenzyloxyamineDTXSID2062169Hydroxylamine, O-[(4-nitrophenyl)methyl]-, hydrochloride (1:1)Hydroxylamine, O-((4-nitrophenyl)methyl)-, hydrochloride (1:1)RefChem:100061DTXCID5036393218-228-6NBHAO-(4-Nitrobenzyl)hydroxylamine hydrochloride

名称をさらに表示

O-4-Nitrobenzylhydroxylamine HydrochlorideMFCD00012954O-[(4-nitrophenyl)methyl]hydroxylamine hydrochlorideEINECS 218-228-6Hydroxylamine, O-[(4-nitrophenyl)methyl]-, monohydrochloridep-Nitrobenzyloxyamine hydrochlorideo-(4-nitrobenzyl) hydroxylamine hydrochlorideO-(4-NITROBENZYL)HYDROXYLAMINEHYDROCHLORIDE

データベース識別子

CAS: 2086-26-2
PubChem CID: 74967
DTXSID: DTXSID2062169
ChEMBL: CHEMBL3765123
EC Number: 218-228-6

物性

構造計算による物性

極性表面積: 81.1 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 149

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.