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Merck

174335

Sigma-Aldrich

2-氨基-5-氯苯腈

98%

别名:

5-氯邻氨基苯腈

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5 G
$96.10

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5 G
$96.10

About This Item

线性分子式:
H2NC6H3(Cl)CN
CAS号:
分子量:
152.58
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

$96.10


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方案

98%

沸点

132-135 °C/0.5 mmHg (lit.)

mp

96-99 °C (lit.)

SMILES字符串

Nc1ccc(Cl)cc1C#N

InChI

1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2

InChI key

QYRDWARBHMCOAG-UHFFFAOYSA-N

一般描述

The vibrational spectra of 2-amino-5-chlorobenzonitrile was studied using density functinal theory[1].

应用

2-Amino-5-chlorobenzonitrile was used to build up the 2,2-dioxide-1H-2,1,3-benzothiadiazine ring system[2].

象形图

Exclamation mark

警示用语:

Warning

危险分类

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - 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)

235.4 °F - closed cup

闪点(°C)

113 °C - closed cup

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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V Krishnakumar et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 71(2), 465-470 (2008-04-22)
The vibrational spectra of 2-amino-5-chloro benzonitrile (ACB) have been obtained by density functional theory (DFT) calculations. Normal coordinate analysis has been carried out to support the vibrational analysis. The results were compared with the experimental values. With the help of
J W Corbett et al.
Bioorganic & medicinal chemistry letters, 10(2), 193-195 (2000-02-15)
Benzothiadiazine non-nucleoside reverse transcriptase inhibitors (NNRTIs) of HIV have been synthesized via a novel process to afford active inhibitors, with the most potent compound exhibiting an IC90 = 180 nM in a whole cell assay. The 2,2-dioxide-1H-2,1,3-benzothiadiazine ring system was
Jiayin Hu et al.
ChemSusChem, 11(24), 4219-4225 (2018-11-16)
The efficient transformation of CO2 into value-added chemicals with green, abundant, and cheap catalysts is an interesting and challenging topic in both green and sustainable chemistry. In this study, a series of salt-lake brines were used for the first time

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