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Merck
CN

145300

3,4-(亚甲二氧基)苯乙腈

99%

别名:

1,3-苯并二氧杂环戊烯-5-乙腈, 胡椒乙腈

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关于此项目

经验公式(希尔记法):
C9H7NO2
化学文摘社编号:
分子量:
161.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
224-655-9
Beilstein/REAXYS Number:
7739
MDL number:
Assay:
99%
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InChI key

ZQPBOYASBNAXOZ-UHFFFAOYSA-N

InChI

1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2

SMILES string

N#CCc1ccc2OCOc2c1

assay

99%

Quality Level

functional group

nitrile

General description

3,4-(Methylenedioxy)phenylacetonitrile undergoes hydrolysis catalyzed by nitrilase ZmNIT2 enzyme from maize.

Application

3,4-(Methylenedioxy)phenylacetonitrile was used in synthesis of derrubone. It was used as standard to analyze the seized methamphetamine samples showing unique profiles of stable isotopic compositions by isotope ratio mass spectrometry.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

法规信息

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历史批次信息供参考:

分析证书(COA)

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Seized methamphetamine samples with unique profiles of stable nitrogen isotopic composition documented by stable isotope ratio mass spectrometry.
Iwata YT, et al.
Forensic Toxicology, 28(2), 119-123 (2010)
Jedidiah M Hastings et al.
The Journal of organic chemistry, 73(2), 369-373 (2007-12-25)
Recently, we reported that the natural product derrubone exhibits Hsp90 inhibitory activity. Due to its unique architectural scaffold and proposed rapid assembly, the synthesis of this natural product was pursued with the aim of identifying structure--activity relationships. Synthesis of the
Enzymatic nitrile hydrolysis catalyzed by nitrilase ZmNIT2 from maize. An unprecedented ?-hydroxy functionality enhanced amide formation.
Mukherjee C, et al.
Tetrahedron, 62(26), 6150-6154 (2006)

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