等級
analytical standard
蒸汽壓力
1 mmHg ( 76.5 °C)
包裝
ampule of 5000 mg
技術
HPLC: suitable
gas chromatography (GC): suitable
bp
246 °C (lit.)
mp
64-66 °C (lit.)
應用
environmental
SMILES 字串
Oc1c(Cl)cc(Cl)cc1Cl
InChI
1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChI 密鑰
LINPIYWFGCPVIE-UHFFFAOYSA-N
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訊號詞
Danger
危險分類
Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 2 - Eye Dam. 1 - Skin Irrit. 2
儲存類別代碼
11 - Combustible Solids
水污染物質分類(WGK)
WGK 3
閃點(°F)
210.2 °F - closed cup
閃點(°C)
99 °C - closed cup
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The development of in silico and in vitro tools to estimate or predict the passive human skin permeation and distribution of new chemical entities, useful in dermal drug delivery, in absorption studies of toxic compounds, and in the cosmetics industry
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A set of 116 structurally very diverse compounds, mainly drugs, was characterized by 1630 molecular descriptors. The biological property modelled in this study was the transdermal permeability coefficient logK(p). The main objective was to find a limited set of suitable
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