2-Fluoro-3-methoxybenzyl alcohol

HCID 593589CAS 178974-59-9

基本情報

標準SMILES: COc1cccc(CO)c1F
InChIKey: CXVBJFZOPGMFGV-UHFFFAOYSA-N
分子式: C8H9FO2
平均分子量: 156.15 g/mol
単同位体質量: 156.05865769

名称と識別子

優先名称: 2-Fluoro-3-methoxybenzyl alcohol
IUPAC: (2-fluoro-3-methoxyphenyl)methanol
英語名: Benzenemethanol, 2-fluoro-3-methoxy- (9CI)
分子式: C8H9FO2
分子量: 156.15

名称と別名

2-Fluoro-3-methoxybenzyl alcohol178974-59-9DTXSID10343970RefChem:260872DTXCID10295046640-262-9(2-Fluoro-3-methoxyphenyl)methanolBenzenemethanol, 2-fluoro-3-methoxy-MFCD09743596Benzenemethanol, 2-fluoro-3-methoxy- (9CI)2-Fluoro-3-(hydroxymethyl)anisoleBenzylalcohol, 2-fluoro-3-methoxy-

名称をさらに表示

2-fluoro-3-methoxybenzylol(2-fluoro-3-methoxyphenyl)methanol - [AC77991]

SCHEMBL422832SCHEMBL4896752-Fluoro-3-methoxybenzylalcoholSCHEMBL169554372-Fluoro-3-methoxybenzenemethanol(2-fluoro-3-methoxy-phenyl)methanolSBB087137(2-Fluoro-3-methoxyphenyl)methanol #

データベース識別子

CAS: 178974-59-9
PubChem CID: 593589
DTXSID: DTXSID10343970
EC Number: 640-262-9

物性

構造計算による物性

XLogP: 1.1
極性表面積: 29.5 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: 2
重原子数: 11
形式電荷: 0
複雑度: 119

物理化学的性質

貯蔵温度: Store at room temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.