结构:CCOC(=O)C(F)P(=O)(OCC)OCC
HCID2734865

Triethyl 2-fluoro-2-phosphonoacetate

ethyl 2-diethoxyphosphoryl-2-fluoroacetate

C8H16FO5P242.18 g/molCAS 2356-16-3

IDENTITY

结构与身份

标准 SMILES
CCOC(=O)C(F)P(=O)(OCC)OCC
InChIKey
FVPISMANESAJQZ-UHFFFAOYSA-N
分子式
C8H16FO5P
平均分子量
242.18 g/mol
单同位素质量
242.07193877

COMPUTED

结构计算性质

已同步
XLogP
1
极性表面积
61.8 Ų
氢键供体
0
氢键受体
6
可旋转键
8
重原子
15
形式电荷
0
复杂度
235

GHS

GHS 分类

来源:PubChem
GHS Classification

Warning

H315 (96.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (96.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (94.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 57 reports by companies from 11 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

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (96.5%);Eye Irrit. 2 (96.5%);STOT SE 3 (94.7%)

ALIASES

名称与别名

45
Triethyl 2-fluoro-2-phosphonoacetateRefChem:899470627-648-22356-16-3ethyl 2-(diethoxyphosphoryl)-2-fluoroacetate2-Fluoro-2-phosphonoacetic Acid Triethyl Esterethyl 2-diethoxyphosphoryl-2-fluoroacetateMFCD00134400ethyl (diethoxyphosphoryl)(fluoro)acetateTriethyl phosphonofluoroacetateAcetic acid, (diethoxyphosphinyl)fluoro-, ethyl esterethyl diethylphosphonofluoroacetatetriethyl-2-fluoro-2-phosphonoacetateC8H16FO5PTriethyl fluorophosphonoacetateethyl 2-(diethoxycarbonyl)-2-fluoroacetatediethyl [(ethoxycarbonyl)fluoromethyl]phosphonateTriethyl2-fluoro-2-phosphonoacetate(Diethoxyphosphinyl)fluoroacetic Acid Ethyl EsterSCHEMBL365852

REACTIONS

参与反应

72
HRID92981

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

作为反应物
HRID 92981 方程式

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

查看条件与参与物
HRID100503

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

作为反应物
HRID 100503 方程式

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

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HRID117717

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

作为反应物
HRID 117717 方程式

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

查看条件与参与物
HRID156910

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

作为反应物
HRID 156910 方程式

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

查看条件与参与物