(Tetrahydro-2H-pyran-4-yl)acetyl chloride 分子结构式
HCID24229747

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

2-(oxan-4-yl)acetyl chloride

C7H11ClO2162.61 g/molCAS 40500-05-8

IDENTITY

结构与身份

标准SMILES
O=C(Cl)CC1CCOCC1
InChIKey
JOMCRTRTXWWINA-UHFFFAOYSA-N
分子式
C7H11ClO2
平均分子量
162.61 g/mol
单同位素质量
162.0447573

COMPUTED

结构计算性质

已同步
XLogP
1.3
极性表面积
26.3 Ų
氢键供体
0
氢键受体
2
可旋转键
2
重原子
10
形式电荷
0
复杂度
119

GHS

GHS分类

GHS Classification

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.

HAZARDS

危害信息

Hazard Classes and Categories

Acute Tox. 4 (50%);Skin Corr. 1B (100%);Eye Dam. 1 (25%);STOT SE 3 (50%)

ALIASES

名称与别名

共 26 条
(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 chlorideSCHEMBL541317DTXSID50640450JOMCRTRTXWWINA-UHFFFAOYSA-Ntetrahydropyran-4-yl acetyl chlorideSBB0536612-tetrahydropyran-4-ylacetyl chlorideAKOS006345984(Tetrahydro-pyran-4-yl)-acetyl chloride

REACTIONS

相关反应

16
HRID 38787 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524727B2

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HRID 38788 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524727B2

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HRID 78414 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841334B2

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HRID 217381 反应方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193356B2

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HRID 227402 反应方程式

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07560481B2

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HRID 664712 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID 679462 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID 1037842 反应方程式

uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08546583B2

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