1-Diethoxyphosphorylpropan-2-one 分子结构式
HCID14028

1-Diethoxyphosphorylpropan-2-one

C7H15O4P194.17 g/molCAS 1067-71-6

IDENTITY

结构与身份

标准SMILES
CCOP(=O)(CC(C)=O)OCC
InChIKey
RSAFKRSMGOSHRK-UHFFFAOYSA-N
分子式
C7H15O4P
平均分子量
194.17 g/mol
单同位素质量
194.07079595

COMPUTED

结构计算性质

已同步
XLogP
0
极性表面积
52.6 Ų
氢键供体
0
氢键受体
4
可旋转键
6
重原子
12
形式电荷
0
复杂度
180

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (33.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.;There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).;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

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (33.3%);Skin Irrit. 2 (66.7%);Eye Dam. 1 (33.3%);Eye Irrit. 2A (33.3%);Acute Tox. 4 (33.3%);STOT SE 3 (33.3%);Aquatic Chronic 2 (33.3%)

ALIASES

名称与别名

共 31 条
1-diethoxyphosphorylpropan-2-oneRefChem:432077682-094-9Diethyl (2-oxopropyl)phosphonate1067-71-6DIETHYL ACETONYLPHOSPHONATEMFCD00044728(2-Oxopropyl)phosphonic Acid Diethyl EsterAcetonylphosphonic Acid Diethyl Ester(2-oxo-propyl)-phosphonic acid diethyl esterDiethyl(2-oxopropyl)phosphonatediethyl 2-oxopropylphosphonatePhosphonic acid, (2-oxopropyl)-, diethyl esterNSC408852Diethyl acetylmethylphosphonateSCHEMBL2468131-Diethoxyphosphinyl-2-propanoneDTXSID901477311-diethoxyphosphoryl-propan-2-oneSTR04005

REACTIONS

参与反应

55
HRID 48062 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699898B2

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HRID 50494 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06710089B2

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HRID 91520 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 106194 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 118865 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 136185 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 147104 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 190405 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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