3-Methyl-2-benzofuranmethanol

HCID 10241108CAS 55581-62-9

基本情報

標準SMILES: Cc1c(CO)oc2ccccc12
InChIKey: BPIHBHUOKWCMGZ-UHFFFAOYSA-N
分子式: C10H10O2
平均分子量: 162.18 g/mol
単同位体質量: 162.06807956

名称と識別子

優先名称: 3-Methyl-2-benzofuranmethanol
IUPAC: (3-methyl-1-benzofuran-2-yl)methanol
英語名: 2-Benzofuranmethanol, 3-methyl-
分子式: C10H10O2
分子量: 162.19

名称と別名

55581-62-93-Methyl-2-benzofuranmethanolRefChem:280771(3-methyl-1-benzofuran-2-yl)methanol(3-methylbenzofuran-2-yl)methanol2-(Hydroxymethyl)-3-methylbenzofuranMFCD151461082-(Hydroxymethyl)-3-methylbenzofuran; 3-Methylbenzofuran-2-methanol3-Methylbenzofuran-2-methanolSCHEMBL2256874BPIHBHUOKWCMGZ-UHFFFAOYSA-N2-Benzofuranmethanol, 3-methyl-

名称をさらに表示

2-Benzofuranmethanol, 3-methyl-

DTXSID101307660FCA58162AC6351(3-methyl-benzofuran-2-yl)-methanolAKOS015968027SY045663DB-117341CS-0021445

データベース識別子

CAS: 55581-62-9
PubChem CID: 10241108
DTXSID: DTXSID101307660
EC Number: 986-820-8
Nikkaji: J2.652.049E

物性

構造計算による物性

XLogP: 1.8
極性表面積: 33.4 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: 12
形式電荷: 0
複雑度: 158

物理化学的性質

融点: 84 · 84-85 °C
沸点: 298.8 · 298.8±25.0 °C(Predicted)
比重(密度): 1.188 · 1.188±0.06 g/cm3(Predicted)
酸解離定数(Pka): 14.05 · 14.05±0.10(Predicted)

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, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

化学と産業

応用分野

使用3-Methylbenzofuran-2-methanol acts as a reagent in the synthesis and evaluation of 2-pyridone derivatives as H1V-1 specific reverse transcriptase inhibitors, preparation of quinoxaline-2-carboxamides as antidiabetics.