HCID3303913

5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile

5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile

C11H5Cl2F3N4321.08 g/molCAS 120068-79-3

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IDENTITY

结构与身份

标准SMILES: N#Cc1cc(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1
InChIKey: QPZYPAMYHBOUTC-UHFFFAOYSA-N
分子式: C11H5Cl2F3N4
平均分子量: 321.08 g/mol
单同位素质量: 319.9843361

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 67.6 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 1
重原子: 20
形式电荷: 0
复杂度: 398

GHS

GHS分类

来源：PubChem

GHS Classification

H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Status: Active Update: 30-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19660；Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8495

Hazard Classes and Categories

Acute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (33.3%)；Eye Irrit. 2 (33.3%)；Acute Tox. 4 (33.3%)；Aquatic Chronic 2 (100%)

Hazardous to the aquatic environment (chronic) - category 2

Aquatic Chronic 2

REGULATORY

法规信息

来源：PubChem

Regulatory Information

ALIASES

名称与别名

共 38 条

120068-79-35-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrileEC 421-240-6DTXSID20391260RefChem:101893DTXCID70342121421-240-65-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrileMFCD002275375-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-cycano pyrazoleFipronil Detrifluoromethylsulfinyl5-Amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazoleC11H5Cl2F3N41H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-Amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol5-Amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazoleSCHEMBL239495SCHEMBL2421794

REACTIONS

参与反应

29 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094906B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094906B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06849633B2

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

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

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

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uspto-grants-2000_02 · 10.6084/m9.figshare.5104873.v1 · US06028096

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uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06316477B1

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