376582
3-Chloro-4-fluorobenzonitrile
99%
Sign In to View Organizational & Contract Pricing.
Select a Size
Change View
About This Item
Linear Formula:
ClC6H3(F)CN
CAS Number:
Molecular Weight:
155.56
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
99%
assay
99%
mp
69-71 °C (lit.)
functional group
chloro, fluoro, nitrile
SMILES string
Fc1ccc(cc1Cl)C#N
InChI
1S/C7H3ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
InChI key
VAHXXQJJZKBZDX-UHFFFAOYSA-N
General description
The FTIR and Raman spectra of 3-chloro-4-fluorobenzonitrile by ab initio HF and density functional method has been reported. Reaction of 3-chloro-4-fluorobenzonitrile with potassium fluoride in 1,3-dimethylimidazolidine-2-one (DMI) has been reported.
Application
3-Chloro-4-fluorobenzonitrile may be used in the preparation of ethyl 5-(2-chloro-4-cyanophenoxy)indoline-1-carboxylate and 3-chloro-4-(indolin-5-yloxy)benzonitrile.
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 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Choose from one of the most recent versions:
Already Own This Product?
Find documentation for the products that you have recently purchased in the Document Library.