532177
3,4-Dichlorobenzonitrile
97%
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About This Item
Linear Formula:
Cl2C6H3CN
CAS Number:
Molecular Weight:
172.01
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
229-494-8
Beilstein/REAXYS Number:
2326352
MDL number:
Assay:
97%
InChI key
KUWBYWUSERRVQP-UHFFFAOYSA-N
InChI
1S/C7H3Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
SMILES string
Clc1ccc(cc1Cl)C#N
assay
97%
mp
74-78 °C (lit.)
functional group
chloro, nitrile
Quality Level
Related Categories
General description
3,4-Dichlorobenzonitrile (3,4-DCBN) is an aromatic nitrile that can be prepared from 3,4-dichlorobenzamide.
Application
3,4-Dichlorobenzonitrilemay be used in the preparation of:
- 3,4-difluorobenzonitrile
- 3-chloro-4-fluorobenzonitrile
- 5-chloromethyl-3-( 3,4-dichlorophenyl)isoxazole
- N-[3-(2-pyridyl)isoquinolin-1-yl]-3,4-dichlorobenzamidine
signalword
Warning
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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3-Aryl-5-halomethylisoxazoles. A new class of anthelmintics.
Sen HG, et al.
Journal of Medicinal Chemistry, 9(3), 431-433 (1966)
Synthesis and copper-dependent antimycoplasmal activity of 1-amino-3-(2-pyridyl) isoquinoline derivatives. 2. Amidines.
De Zwart MAH, et al.
Journal of Medicinal Chemistry, 32(2), 487-493 (1989)
Synthesis of 3, 4-difluorobenzonitrile and monofluorobenzonitriles by means of halogen-exchange fluorination.
Suzuki H and Kimura Y.
Journal of Fluorine Chemistry, 52(3), 341-351 (1991)
Wouter Huiting et al.
eLife, 11 (2022-02-25)
A loss of the checkpoint kinase ataxia telangiectasia mutated (ATM) leads to impairments in the DNA damage response, and in humans causes cerebellar neurodegeneration, and an increased risk of cancer. A loss of ATM is also associated with increased protein
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