HCID93341

Diclomezine

3-(3,5-dichloro-4-methylphenyl)-1H-pyridazin-6-one

C11H8Cl2N2O255.1 g/molCAS 62865-36-5

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IDENTITY

结构与身份

标准SMILES: Cc1c(Cl)cc(-c2ccc(=O)[nH]n2)cc1Cl
InChIKey: UWQMKVBQKFHLCE-UHFFFAOYSA-N
分子式: C11H8Cl2N2O
平均分子量: 255.1 g/mol
单同位素质量: 254.0013683

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 41.5 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 16
形式电荷: 0
复杂度: 342

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

2468.7

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P261, P271, P304+P340, P316, P321, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 1 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

Acute Tox. 3 (100%)

ALIASES

名称与别名

共 32 条

Diclomezine62865-36-5MonguardDiclomezine [ISO]6-(3,5-Dichloro-4-methylphenyl)-3(2H)-pyridazinoneSF-7531UNB23N8AVXF-850BRN 08843913(2H)-Pyridazinone, 6-(3,5-dichloro-4-methylphenyl)-DTXSID0058146CHEBI:817596-(3,5-dichloro-4-methylphenyl)-3-pyridazone6-(3,5-dichloro-p-tolyl)pyridazin-3(2H)-oneRefChem:586846DTXCID6031914613-092-8Diclomezin3-(3,5-dichloro-4-methylphenyl)-1H-pyridazin-6-one6-(3,5-dichloro-4-methylphenyl)pyridazin-3(2H)-one

REACTIONS

参与反应

18 条

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

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uspto-grants-1986_07 · 10.6084/m9.figshare.5104873.v1 · US04603201

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uspto-grants-1986_07 · 10.6084/m9.figshare.5104873.v1 · US04603201

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uspto-grants-1986_07 · 10.6084/m9.figshare.5104873.v1 · US04603201

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