(テトラヒドロ-2H-ピラン-4-イル)アセチルクロリド

(Tetrahydro-2H-pyran-4-yl)acetyl chloride

HCID 24229747CAS 40500-05-8

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(Cl)CC1CCOCC1
InChIKey: JOMCRTRTXWWINA-UHFFFAOYSA-N
分子式: C7H11ClO2
平均分子量: 162.61 g/mol
単同位体質量: 162.0447573

名称と識別子

優先名称: (Tetrahydro-2H-pyran-4-yl)acetyl chloride
IUPAC: 2-(oxan-4-yl)acetyl chloride
現地名: (テトラヒドロ-2H-ピラン-4-イル)アセチルクロリド
英語名: TETRAHYDRO-2H-PYRAN-4-YLACETYL CHLORIDE
分子式: C7H11ClO2
分子量: 162.61

名称と別名

(Tetrahydro-2H-pyran-4-yl)acetyl chlorideRefChem:408473640-732-340500-05-82-(tetrahydro-2H-pyran-4-yl)acetyl chloride2-(oxan-4-yl)acetyl chlorideTetrahydro-2H-pyran-4-ylacetyl chlorideMFCD08669649TETRAHYDROPYRAN-4-YLACETYL CHLORIDE2-(4-Tetrahydropyranyl)acetyl Chloride2-(Tetrahydro-2H-pyran-4-yl)acetylchloride(Oxan-4-yl)acetyl chloride

名称をさらに表示

(テトラヒドロ-2H-ピラン-4-イル)アセチルクロリドテトラヒドロ-2H-ピラン-4-イルアセチルクロリド2-(oxan-4-yl)acetylchlorideTetrahydropyran-4-acetyl chloride ,95%2H-Pyran-4-acetyl chloride, tetrahydro-Tetrahydropyran-4-ylacetyl chloride ,95%4-(2-Chloro-2-oxoethyl)tetrahydro-2H-pyranTETRAHYDRO-2H-PYRAN-4-YLACETYL CHLORIDE ISO 9001：2015 REACH

SCHEMBL541317DTXSID50640450JOMCRTRTXWWINA-UHFFFAOYSA-Ntetrahydropyran-4-yl acetyl chlorideSBB0536612-tetrahydropyran-4-ylacetyl chlorideAKOS006345984(Tetrahydro-pyran-4-yl)-acetyl chloride

データベース識別子

CAS: 40500-05-8
PubChem CID: 24229747
DTXSID: DTXSID50640450
EC Number: 640-732-3

物性

構造計算による物性

XLogP: 1.3
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 119

物理化学的性質

沸点: 223.8 · 223.8±13.0 °C(Predicted)
比重(密度): 1.132 · 1.132±0.06 g/cm3(Predicted)
外見: liquid
色: Clear, beige/brown
CAS データベース: 40500 · 40500-05-8

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 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.