4-iodotetrahydro-2H-pyran

HCID 2795506

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 25637-18-7
標準SMILES: IC1CCOCC1
InChIKey: JTRNQTFTRDPITG-UHFFFAOYSA-N
分子式: C5H9IO
平均分子量: 212.03 g/mol
単同位体質量: 211.96981291

名称と識別子

優先名称: 4-iodotetrahydro-2H-pyran
IUPAC: 4-iodooxane
英語名: 4-Iodotetrahydro-2H-pyran
分子式: C5H9IO
分子量: 212.03

名称と別名

4-iodotetrahydro-2H-pyran25637-18-7DTXSID20383726RefChem:293594DTXCID40334750639-329-54-iodooxane4-IODOTETRAHYDROPYRAN4-iodo-tetrahydro-2H-pyran4-iodo-tetrahydropyranMFCD067974674-Iodo-tetrahydro-pyran

名称をさらに表示

4-Iodotetrahydro-2H-pyrane4-Iodotetrahydro-2H-pyran 97%25637-184-IODOTETRAHYDRO-2H-PYRAN-74-Iodotetrahydro-2H-pyran,97%,stabilized with Na2O3S2

2H-PYRAN, TETRAHYDRO-4-IODO-4-IodooxacyclohexaneTETRAHYDRO-4-IODO-2H-PYRAN4-Iodopentahydropyra4-IodopentahydropyranSCHEMBL172959JTRNQTFTRDPITG-UHFFFAOYSA-NSBB094571

データベース識別子

CAS: 25637-18-7
PubChem CID: 2795506
DTXSID: DTXSID20383726
EC Number: 639-329-5
Nikkaji: J1.004.436G

物性

構造計算による物性

XLogP: 1.6
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 50

物理化学的性質

沸点: 79 °C · 79 °C
比重(密度): 1.77 · 1.77±0.1 g/cm3(Predicted)
屈折率: 1.5471 · 1.5471
貯蔵温度: 2 · 2-8°C(protect from light)
外見: liquid
色: Clear, colourless
InChI: InChI=1S/C5H9IO/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChIKey: JTRNQTFTRDPITG-UHFFFAOYSA-N
SMILES: C1OCCC(I)C1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.