Skip to Content
Merck
CN

174335

2-Amino-5-chlorobenzonitrile

98%

Synonym(s):

5-Chloroanthranilonitrile

Sign In to View Organizational & Contract Pricing.

Select a Size

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
Assay:
98%

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

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

Related Categories

Application

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

General description

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

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

Regulatory Information

新产品
This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
STBL3391
STBJ6174
STBH1143
STBF5604V
STBC7396V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service