HCID19915808

5-(Trifluoromethyl)pyrazin-2-ol

5-(trifluoromethyl)-1H-pyrazin-2-one

C5H3F3N2O164.09 g/molCAS 134510-03-5

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IDENTITY

结构与身份

标准SMILES: O=c1cnc(C(F)(F)F)c[nH]1
InChIKey: FZBNWYMJWPBFAS-UHFFFAOYSA-N
分子式: C5H3F3N2O
平均分子量: 164.09 g/mol
单同位素质量: 164.01974721

COMPUTED

结构计算性质

已同步

XLogP: 0.2
极性表面积: 41.5 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 241

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 34 条

134510-03-55-(TRIFLUOROMETHYL)PYRAZIN-2-OLRefChem:531799868-938-05-(trifluoromethyl)-1H-pyrazin-2-one5-Trifluoromethyl-pyrazin-2-ol5-(trifluoromethyl)pyrazin-2(1H)-one5-HYDROXY-2-(TRIFLUOROMETHYL)PYRAZINEMFCD131901912(1H)-Pyrazinone, 5-(trifluoromethyl)-MFCD233824435-trifluoromethylpyrazin-2-oneSCHEMBL1931544SCHEMBL9902409SCHEMBL99027255-trifluoromethylpyrazine-2-oneSCHEMBL19707458SCHEMBL307006785-(Trifluoromethyl)pyrazin-2-oneQPNNXAAJWXPCDU-UHFFFAOYSA-N

REACTIONS

参与反应

2 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID209914

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

作为反应物

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

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HRID734337

uspto-grants-2009_09

作为反应物

uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07592347B2

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