2,3-ジヒドロ-1-ベンゾフラン-5-イルメタノール

(2,3-Dihydro-1-benzofuran-5-yl)methanol

HCID 2776158

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 103262-35-7
標準SMILES: OCc1ccc2c(c1)CCO2
InChIKey: XQDNBMXUZGAWSZ-UHFFFAOYSA-N
分子式: C9H10O2
平均分子量: 150.17 g/mol
単同位体質量: 150.06807956

名称と識別子

優先名称: (2,3-Dihydro-1-benzofuran-5-yl)methanol
IUPAC: 2,3-dihydro-1-benzofuran-5-ylmethanol
現地名: 2,3-ジヒドロ-1-ベンゾフラン-5-イルメタノール
英語名: 2,3-DIHYDRO-1-BENZOFURAN-5-YLMETHANOL
分子式: C9H10O2
分子量: 150.17

名称と別名

(2,3-Dihydro-1-benzofuran-5-yl)methanolRefChem:394498818-951-2103262-35-7(2,3-Dihydrobenzofuran-5-yl)methanol2,3-dihydro-1-benzofuran-5-ylmethanolMFCD021697555-Hydroxymethyl-2,3-dihydrobenzo[b]furan2,3-Dihydro-5-(hydroxymethyl)benzo[b]furan2,3-dihydrobenzo[b]furan-5-ylmethan-1-ol(2,3-Dihydro-benzofuran5-yl)-methanolSCHEMBL317341

名称をさらに表示

2,3-ジヒドロ-1-ベンゾフラン-5-イルメタノールBUTTPARK 121\06-58RARECHEM AL BD 03275-Benzofuranmethanol, 2,3-dihydro-(2,3-Dihydro-benzofuran-5-yl)-methanol2,3-Dihydrobenzo[b]furan-5-yl Methanol(2,3-Dihydro-1-benzofuran-5-yl)methanol, 2,3-Dihydro-5-(hydroxymethyl)-1-benzofuran

SCHEMBL30922323DTXSID90379853XQDNBMXUZGAWSZ-UHFFFAOYSA-N2,3-dihydrobenzofuran-5-ylmethanolCS-M0931DEA26235SBB054831AKOS009157365

データベース識別子

CAS: 103262-35-7
PubChem CID: 2776158
DTXSID: DTXSID90379853
EC Number: 818-951-2

物性

構造計算による物性

XLogP: 1.3
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: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 136

物理化学的性質

沸点: 152 · 152-155 °C(Press: 8 Torr)
比重(密度): 1.217 · 1.217±0.06 g/cm3(Predicted)
屈折率: 1.5776 · 1.5776 (589.3 nm 18℃)
貯蔵温度: Sealed in dry,Room Temperature
外見: solid
酸解離定数(Pka): 14.43 · 14.43±0.10(Predicted)
InChI: 1S/C9H10O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5,10H,3-4,6H2
InChIKey: XQDNBMXUZGAWSZ-UHFFFAOYSA-N
SMILES: OCc1ccc2OCCc2c1
CAS データベース: 103262 · 103262-35-7(CAS DataBase Reference)

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)

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.；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.