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Merck
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重要文件

H18801

Sigma-Aldrich

3′-羟基苯乙酮

97%

同義詞:

1-(3-Hydroxyphenyl)ethanone, 3-Acetylphenol, 3-Hydroxyphenylethanone, m-Hydroxyacetophenone

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About This Item

線性公式:
HOC6H4COCH3
CAS號碼:
分子量::
136.15
Beilstein:
2040676
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22
化驗:
97%

品質等級

化驗

97%

bp

296 °C (lit.)

mp

90-95 °C (lit.)

密度

1.1 g/mL at 25 °C (lit.)

SMILES 字串

CC(=O)c1cccc(O)c1

InChI

1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3

InChI 密鑰

LUJMEECXHPYQOF-UHFFFAOYSA-N

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象形圖

Exclamation mark

訊號詞

Warning

危險聲明

危險分類

Eye Irrit. 2 - 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)

247.3 °F - closed cup

閃點(°C)

119.6 °C - closed cup

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves


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分析證明 (COA)

Lot/Batch Number

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Takashi Otani et al.
Bioorganic & medicinal chemistry letters, 18(12), 3582-3584 (2008-05-31)
m-Acetylphenyl-beta-d-glucopyranosides and m-acetylphenyl-alpha/beta-d-mannopyranosides were synthesized by the Koenigs-Knorr, Mitsunobu, and Helferich reactions as key glycosylation reactions, respectively. Their spectroscopic properties and antioxidative activities were characterized as potential ultraviolet B-ray absorbents.
Stefania Ferrari et al.
Journal of medicinal chemistry, 54(1), 211-221 (2010-12-04)
Folate analogue inhibitors of Leishmania major pteridine reductase (PTR1) are potential antiparasitic drug candidates for combined therapy with dihydrofolate reductase (DHFR) inhibitors. To identify new molecules with specificity for PTR1, we carried out a virtual screening of the Available Chemicals
Alfonso Pérez-Garrido et al.
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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