2-(Trifluoromethyl)acrylic acid 分子结构式
HCID587694

2-(Trifluoromethyl)acrylic acid

2-(trifluoromethyl)prop-2-enoic acid

C4H3F3O2140.06 g/molCAS 381-98-6

IDENTITY

结构与身份

标准SMILES
C=C(C(=O)O)C(F)(F)F
InChIKey
VLSRKCIBHNJFHA-UHFFFAOYSA-N
分子式
C4H3F3O2
平均分子量
140.06 g/mol
单同位素质量
140.00851382

COMPUTED

结构计算性质

已同步
XLogP
1.3
极性表面积
37.3 Ų
氢键供体
1
氢键受体
5
可旋转键
1
重原子
9
形式电荷
0
复杂度
146

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory.;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 Corr. 1B (100%)

ALIASES

名称与别名

共 39 条
2-(Trifluoromethyl)acrylic acid381-98-6DTXSID70343138RefChem:462533DTXCID30294218627-408-72-(Trifluoromethyl)propenoic acid2-(trifluoromethyl)prop-2-enoic acidTFMAAMFCD00042424trifluoromethacrylic acidtrifluoromethylacrylic acid2-Propenoic acid, 2-(trifluoromethyl)-2-trifluoromethylacrylic acidalpha-trifluoromethylacrylic acida-trifluoromethylacrylic acidSCHEMBL203037SCHEMBL8648182-trifluoromethyl-acrylic acid2-trifluoromethylpropenoic acid

REACTIONS

参与反应

153
HRID 1886 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05726182

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HRID 1888 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05726182

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HRID 80224 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · USRE045173E1

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HRID 262704 反应方程式

uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04154935

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HRID 299887 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 302777 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 397255 反应方程式

uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06610456B2

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HRID 415966 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08088811B2

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