Merck
CN

H18801

Sigma-Aldrich

3′-羟基苯乙酮

97%

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别名:
1-(3-Hydroxyphenyl)ethanone, 3-Acetylphenol, 3-Hydroxyphenylethanone, m-Hydroxyacetophenone
线性分子式:
HOC6H4COCH3
CAS号:
分子量:
136.15
Beilstein:
2040676
EC 号:
MDL编号:
PubChem化学物质编号:
NACRES:
NA.22

检测方案

97%

bp

296 °C (lit.)

mp

90-95 °C (lit.)

密度

1.1 g/mL at 25 °C (lit.)

SMILES string

CC(=O)c1cccc(O)c1

InChI

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

InChI key

LUJMEECXHPYQOF-UHFFFAOYSA-N

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象形图

Exclamation mark

警示用语:

Warning

危险声明

危险分类

Eye Irrit. 2 - Skin Irrit. 2

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

247.3 °F - closed cup

闪点(°C)

119.6 °C - closed cup

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves

法规信息

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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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