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Merck

292214

Sigma-Aldrich

3-乙酰苯腈

97%

别名:

间乙酰基苯腈

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About This Item

线性分子式:
CH3COC6H4CN
CAS号:
分子量:
145.16
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

方案

97%

mp

98-100 °C (lit.)

SMILES字符串

CC(=O)c1cccc(c1)C#N

InChI

1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3

InChI key

SBCFGFDAZCTSRH-UHFFFAOYSA-N

应用

3-Acetylbenzonitrile has been used in the preparation of:
  • 3-(hydroxyacetyl)benzonitrile
  • 3-(1-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenylimino)ethyl)benzonitrile

象形图

Exclamation mark

警示用语:

Warning

危险分类

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

靶器官

Respiratory system

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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访问文档库

Synthesis and in vitro biological activity of N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidinamine derivatives.
Mohana KN and Mallesha L.
Bulgarian Chemical Communications, 43(3), 395-400 (2011)
C Y Watson et al.
Bioorganic & medicinal chemistry, 6(6), 721-734 (1998-07-29)
Inhibitors of poly(ADP-ribose)polymerase (PARP) inhibit repair of damaged DNA and thus potentiate radiotherapy and chemotherapy of cancer. 3-Substituted benzamides and 5-substituted isoquinolin-1-ones have been synthesised and evaluated for inhibition of PARP. Reduction of 3-(bromoacetyl)benzamide, followed by treatment with base, gave

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