174335
2-Amino-5-chlorobenzonitrile
98%
Synonym(s):
5-Chloroanthranilonitrile
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About This Item
Linear Formula:
H2NC6H3(Cl)CN
CAS Number:
Molecular Weight:
152.58
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
98%
bp
132-135 °C/0.5 mmHg (lit.)
mp
96-99 °C (lit.)
SMILES string
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
General description
The vibrational spectra of 2-amino-5-chlorobenzonitrile was studied using density functinal theory.
Application
2-Amino-5-chlorobenzonitrile was used to build up the 2,2-dioxide-1H-2,1,3-benzothiadiazine ring system.
Signal Word
Warning
Hazard Statements
Precautionary Statements
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 Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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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