3,5-ジメチル-4-ニトロソフェノール

3,5-Dimethyl-4-nitrosophenol

HCID 236019CAS 19628-76-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc(O)cc(C)c1N=O
InChIKey: ZVUJMNCTXGSXSQ-UHFFFAOYSA-N
分子式: C8H9NO2
平均分子量: 151.16 g/mol
単同位体質量: 151.06332853

名称と識別子

優先名称: 3,5-Dimethyl-4-nitrosophenol
IUPAC: 3,5-dimethyl-4-nitrosophenol
現地名: 3,5-ジメチル-4-ニトロソフェノール
英語名: 3,5-Dimethyl-4-nitrosophenol
分子式: C8H9NO2
分子量: 151.16

名称と別名

3,5-Dimethyl-4-nitrosophenol19628-76-3DTXSID50284616RefChem:271927DTXCID302357674-Nitroso-3,5-xylenolPhenol, 3,5-dimethyl-4-nitroso-3, 4-nitroso-NSC38029NSC-38029Phenol,5-dimethyl-4-nitroso-3,5-Dimethyl-4-nitrosophenol; NSC 38029

名称をさらに表示

3,5-ジメチル-4-ニトロソフェノールNSC 38029

3,5-Xylenol, 4-nitroso-L85NWV2FLESCHEMBL1578480SCHEMBL11420164ZVUJMNCTXGSXSQ-UHFFFAOYSA-NSTL182521AKOS015951528AKOS022171791

データベース識別子

CAS: 19628-76-3
PubChem CID: 236019
DTXSID: DTXSID50284616
UNII: L85NWV2FLE
EC Number: 808-839-1
Nikkaji: J122.124H

物性

構造計算による物性

XLogP: 1.7
極性表面積: 49.7 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 137

物理化学的性質

溶解性: ジメチルホルムアミド、ジメチルスルホキシド、メタノール
外見: 個体
色: 黄色

化学的性質

化学的特性Yellow Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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.