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Merck

D70600

Sigma-Aldrich

3,5-二氯苯酚

97%

别名:

3,5-二氯苯酚

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About This Item

线性分子式:
Cl2C6H3OH
CAS号:
分子量:
163.00
Beilstein:
1906458
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

品質等級

化驗

97%

形狀

crystals

bp

233 °C (lit.)

mp

65-68 °C (lit.)

SMILES 字串

Oc1cc(Cl)cc(Cl)c1

InChI

1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H

InChI 密鑰

VPOMSPZBQMDLTM-UHFFFAOYSA-N

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訊號詞

Danger

危險分類

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 2 - Skin Corr. 1B

儲存類別代碼

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves


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Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
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