1-[(アミノオキシ)メチル]-4-クロロベンゼン

O-[(4-chlorophenyl)methyl]hydroxylamine

HCID 217574

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5555-51-1
標準SMILES: NOCc1ccc(Cl)cc1
InChIKey: GONDHKVGJCQJPR-UHFFFAOYSA-N
分子式: C7H8ClNO
平均分子量: 157.6 g/mol
単同位体質量: 157.0294416

名称と識別子

優先名称: O-[(4-chlorophenyl)methyl]hydroxylamine
IUPAC: O-[(4-chlorophenyl)methyl]hydroxylamine
現地名: 1-[(アミノオキシ)メチル]-4-クロロベンゼン
英語名: 1-[(AMINOOXY)METHYL]-4-CHLOROBENZENE
分子式: C7H8ClNO
分子量: 157.6

名称と別名

5555-51-1O-[(4-chlorophenyl)methyl]hydroxylamineO-((4-Chlorophenyl)methyl)hydroxylamineRefChem:855063879-052-91-[(Aminooxy)methyl]-4-chlorobenzeneO-(4-chlorobenzyl)hydroxylamineHydroxylamine, O-[(4-chlorophenyl)methyl]-MFCD04230620CHEMBL3764023SCHEMBL1520291SCHEMBL8716806

名称をさらに表示

1-[(アミノオキシ)メチル]-4-クロロベンゼン(4-chlorobenzyl)oxyamine-[(aminooxy)methyl]-4-chlorobenzene1-[(aminooxy)methyl]-4-chlorobenzene(SALTDATA: FREE)

CHEMBL3765978SCHEMBL11167734DTXSID50902722GONDHKVGJCQJPR-UHFFFAOYSA-NFAA55551BDBM50146529EBC-44094AKOS000353333

データベース識別子

CAS: 5555-51-1
PubChem CID: 217574
DTXSID: DTXSID50902722
ChEMBL: CHEMBL3764023、CHEMBL3765978
EC Number: 879-052-9
Nikkaji: J238.973H

物性

構造計算による物性

XLogP: 1.8
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: 10
形式電荷: 0
複雑度: 91

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.