2,4-Dichloro-6-(trifluoromethyl)pyrimidine 分子结构式
HCID334203

2,4-Dichloro-6-(trifluoromethyl)pyrimidine

C5HCl2F3N2216.97 g/molCAS 16097-64-6

IDENTITY

结构与身份

标准SMILES
FC(F)(F)c1cc(Cl)nc(Cl)n1
InChIKey
ZTNFYAJHLPMNSN-UHFFFAOYSA-N
分子式
C5HCl2F3N2
平均分子量
216.97 g/mol
单同位素质量
215.9468879

COMPUTED

结构计算性质

已同步
XLogP
3
极性表面积
25.8 Ų
氢键供体
0
氢键受体
5
可旋转键
0
重原子
12
形式电荷
0
复杂度
163

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)

Aggregated GHS information provided per 2 reports by companies from 2 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

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

ALIASES

名称与别名

共 28 条
2,4-dichloro-6-(trifluoromethyl)pyrimidine16097-64-6pyrimidine, 2,4-dichloro-6-(trifluoromethyl)-DTXSID40319027RefChem:82348DTXCID50270150802-203-7InChI=1/C5HCl2F3N2/c6-3-1-2(5(8,9)10)11-4(7)12-3/h12,4-Dichloro-6-trifluoromethylpyrimidineMFCD09910264NSC3385932,4-dichloro-6-trifluoromethyl-pyrimidine2,4-dichloro-6-(trifluoromethyl)-pyrimidineSCHEMBL628056AKOS005063578AB55075CS-W004717NSC-338593AC-27632SY009599

REACTIONS

参与反应

9
HRID 75450 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835429B2

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HRID 241345 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08648197B2

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HRID 310792 反应方程式

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

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HRID 475247 反应方程式

uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08637537B2

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HRID 556309 反应方程式

uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08058279B2

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HRID 827887 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 1361497 反应方程式

uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07880002B2

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HRID 1907836 反应方程式

uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08598182B2

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