(5-メチルチオフェン-2-イル)メタノール

(5-Methylthiophen-2-yl)methanol

HCID 528074CAS 63826-59-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc(CO)s1
InChIKey: YAWGNFISLHMUDV-UHFFFAOYSA-N
分子式: C6H8OS
平均分子量: 128.19 g/mol
単同位体質量: 128.02958588

名称と識別子

優先名称: (5-Methylthiophen-2-yl)methanol
IUPAC: (5-methylthiophen-2-yl)methanol
現地名: (5-メチルチオフェン-2-イル)メタノール
英語名: RARECHEM AL BD 0181
分子式: C6H8OS
分子量: 128.19

名称と別名

(5-methylthiophen-2-yl)methanolRefChem:404145811-973-363826-59-5(5-methyl-2-thienyl)methanolMFCD062026275-Methyl-2-thiophenemethanol2-thiophenemethanol, 5-methyl-SCHEMBL93014SCHEMBL1277865-methyl-2-thiophene methanolSCHEMBL27829407

名称をさらに表示

(5-メチルチオフェン-2-イル)メタノールRARECHEM AL BDRARECHEM AL BD 01815-METHYL THIOPHENE-2-METHANOL(5-Methylthiophen-2-yl)methanol - [M90197]

5-methyl-2-hydroxymethylthiopheneDTXSID703359372-Hydroxymethyl-5-methyl-thiophene(5-methyl-thiophen-2-yl)-methanolNCA82659AKOS000321035BS-3765SY083528

データベース識別子

CAS: 63826-59-5
PubChem CID: 528074
DTXSID: DTXSID70335937
EC Number: 811-973-3
Nikkaji: J1.480.180D

物性

構造計算による物性

XLogP: 1.2
極性表面積: 48.5 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: 1
重原子数: 8
形式電荷: 0
複雑度: 74.9

物理化学的性質

貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.