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174335

2-Amino-5-chlorobenzonitrile

98%

Synonym(s):

5-Chloroanthranilonitrile

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About This Item

Linear Formula:
H2NC6H3(Cl)CN
CAS Number:
5922-60-1
Molecular Weight:
152.58
NACRES:
NA.22
PubChem Substance ID:
24850479
UNSPSC Code:
12352100
EC Number:
227-651-5
MDL number:
MFCD00017106

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Product Name

2-Amino-5-chlorobenzonitrile, 98%

InChI key

QYRDWARBHMCOAG-UHFFFAOYSA-N

InChI

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

SMILES string

Nc1ccc(Cl)cc1C#N

assay

98%

bp

132-135 °C/0.5 mmHg (lit.)

mp

96-99 °C (lit.)

Quality Level

100

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2-Amino-5-chlorobenzonitrile 98%

Sigma-Aldrich

174335

2-Amino-5-chlorobenzonitrile

2-Amino-4-chlorobenzonitrile 99%

Sigma-Aldrich

405280

2-Amino-4-chlorobenzonitrile

3-Amino-5-hydroxypyrazole 98%

Sigma-Aldrich

331449

3-Amino-5-hydroxypyrazole

5-Amino-2-methylphenol 97%

Sigma-Aldrich

225088

5-Amino-2-methylphenol

assay

98%

assay

99%

assay

98%

assay

97%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

bp

132-135 °C/0.5 mmHg (lit.)

bp

-

bp

-

bp

-

mp

96-99 °C (lit.)

mp

157-162 °C (lit.)

mp

214 °C (dec.) (lit.)

mp

160-162 °C (lit.)

Application

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

General description

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

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

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

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Certificates of Analysis (COA)

Lot/Batch Number
STBL3391
STBJ6174
STBH1143
STBF5604V
STBC7396V

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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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