CAS 101691-94-5 4-(Iodomethyl)oxane (HCID 2795507)

基本情報

CAS: 101691-94-5
標準SMILES: ICC1CCOCC1
InChIKey: MQLFSPBSNWUXSO-UHFFFAOYSA-N
分子式: C6H11IO
平均分子量: 226.06 g/mol
単同位体質量: 225.98546297

名称と識別子

優先名称: 4-(Iodomethyl)oxane
IUPAC: 4-(iodomethyl)oxane
現地名: 4-(ヨードメチル)テトラヒドロ-2H-ピラン
英語名: 4-(Iodomethyl)tetrahydro-2H-pyran
分子式: C6H11IO
分子量: 226.06

名称と別名

4-(iodomethyl)oxaneRefChem:516212820-194-84-(iodomethyl)tetrahydro-2H-pyran101691-94-54-Iodomethyl-tetrahydro-pyran2H-PYRAN, TETRAHYDRO-4-(IODOMETHYL)-4-(IODOMETHYL)TETRAHYDROPYRANMFCD06410724C6H11IO4-(iodomethyl)-tetrahydro-2H-pyranDS-2117

名称をさらに表示

4-(ヨードメチル)テトラヒドロ-2H-ピラン4-(Iodomethyl)tetrahydropyrane(4-TETRAHYDROPYRANYL)METHYL IODIDETetrahydro-4-(iodomethyl)-2H-pyran4-(Iodomethyl)tetrahydro-2H-pyrane

PB24898AM20070671FT-07686444-iodomethyltetrahydropyranSCHEMBL5239014-(iodomethyl)-tetrahydropyranDTXSID80383727MQLFSPBSNWUXSO-UHFFFAOYSA-N

データベース識別子

CAS: 101691-94-5
PubChem CID: 2795507
DTXSID: DTXSID80383727
EC Number: 820-194-8

物性

構造計算による物性

XLogP: 2.1
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: 1
重原子数: 8
形式電荷: 0
複雑度: 59.5

物理化学的性質

沸点: 229.1 · 229.1±13.0 °C(Predicted)
比重(密度): 1.645 · 1.645±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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, P305+P354+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.