380059
4-Chloro-3-nitrobenzonitrile
97%
Sign In to View Organizational & Contract Pricing.
Select a Size
Change View
About This Item
Linear Formula:
ClC6H3(NO2)CN
CAS Number:
Molecular Weight:
182.56
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
213-364-2
Beilstein/REAXYS Number:
1639111
MDL number:
Assay:
97%
Form:
powder
assay
97%
form
powder
mp
98-100 °C (lit.)
functional group
chloro, nitrile, nitro
SMILES string
[O-][N+](=O)c1cc(ccc1Cl)C#N
InChI
1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChI key
XBLPHYSLHRGMNW-UHFFFAOYSA-N
General description
FT-IR and μ-Raman spectra of 4-chloro-3-nitrobenzonitrile have been recorded in the range of 400-4000cm-1 and 100-4000cm-1, respectively. It has been prepred from the reaction of 4-chloro-3-nitrobenzamide and phosphorus oxychloride. Crystal structure of 4-chloro-3-nitrobenzonitrile has been reported. Molecules of 4-chloro-3-nitrobenzonitrile are linked by weak intermolecular C-H…O and C-H…N hydrogen bonds.
Application
4-Chloro-3-nitrobenzonitrile may be employed for the radiosynthesis of analogs of serotonin transporter (SERT) ligands for use in positron emission tomography (PET) studies and for the preparation of N-(4-cyano-2-nitrophenyl)glycine.
4-Chloro-3-nitrobenzonitrile may be used in the synthesis of 3-nitro-4-thiocyanobenzonitryl.
signalword
Warning
hcodes
Hazard Classifications
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
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.