反应SMILES:Fc1cc(F)ncn1
HCID137717

4,6-Difluoropyrimidine

C4H2F2N2116.07 g/molCAS 2802-62-2

IDENTITY

结构与身份

标准SMILES
Fc1cc(F)ncn1
InChIKey
MCLDVUCSDZGNRR-UHFFFAOYSA-N
分子式
C4H2F2N2
平均分子量
116.07 g/mol
单同位素质量
116.0186044

COMPUTED

结构计算性质

已同步
XLogP
1.1
极性表面积
25.8 Ų
氢键供体
0
氢键受体
4
可旋转键
0
重原子
8
形式电荷
0
复杂度
70

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 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

Eye Dam. 1 (100%)

ALIASES

名称与别名

共 25 条
4,6-difluoropyrimidineRefChem:508080808-946-32802-62-24,6-Difluoro-pyrimidinePyrimidine, 4,6-difluoro-MFCD03412223Pyrimidine,4,6-difluoro-4,6- Difluoropyrimidinedifluoropyrimidinebis(fluoro)pyrimidine4, 6-difluoropyrimidineSCHEMBL394820SCHEMBL1376949SCHEMBL9156927DTXSID801822974,6-Difluoropyrimidine, AldrichCPRAKOS006346227SB57264AS-40418

REACTIONS

参与反应

7
HRID141318

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

作为反应物
HRID 141318 方程式

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

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HRID337735

uspto-grants-2014_11

作为反应物
HRID 337735 方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08889741B2

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HRID1223609

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物
HRID 1223609 方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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HRID1993545

uspto-grants-2010_01

作为反应物
HRID 1993545 方程式

uspto-grants-2010_01 · 10.6084/m9.figshare.5104873.v1 · US07652022B2

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HRID2069891

uspto-grants-2012_10

作为反应物
HRID 2069891 方程式

uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08299245B2

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HRID2069893

uspto-grants-2012_10

作为反应物
HRID 2069893 方程式

uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08299245B2

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HRID2194446

uspto-grants-2012_12

作为反应物
HRID 2194446 方程式

uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08334287B2

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