4-Chloro-3-nitrobenzonitrile

CAS No.：939-80-0

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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4-Chloro-3-nitrobenzonitrile Basic information

Product Name:	4-Chloro-3-nitrobenzonitrile
Synonyms:	4-CHLORO-3-NITROBENZONITRILE;LABOTEST-BB LT00160147;2-chloro-5-cyanonitrobenzene;4-chlor-3-nitrobenzonitril;4-chloro-3-nitro-benzonitril;2-Nitro-4-cyanophenyl chloride;3-Nitro-4-chlorobenzonitrile;4-Chloro-3-nitrobenzonitrile,97%
CAS:	939-80-0
MF:	C7H3ClN2O2
MW:	182.56
EINECS:	213-364-2
Product Categories:	C6 to C7;Cyanides/Nitriles;Aromatic Nitriles;Nitrogen Compounds
Mol File:	939-80-0.mol

4-Chloro-3-nitrobenzonitrile Chemical Properties

Melting point	98-100 °C (lit.)
Boiling point	284.8±25.0 °C(Predicted)
density	1.6133 (rough estimate)
refractive index	1.5557 (estimate)
storage temp.	Sealed in dry,Room Temperature
Water Solubility	Slightly soluble in water
form	powder to crystal
color	White to Light yellow to Green
BRN	1639111
InChIKey	XBLPHYSLHRGMNW-UHFFFAOYSA-N
CAS DataBase Reference	939-80-0(CAS DataBase Reference)

Safety Information

Hazard Codes	Xi,Xn
Risk Statements	36/37/38-20/21/22
Safety Statements	26-36-36/37
WGK Germany	2
RTECS	DI3050000
HS Code	29269090

MSDS Information

Provider	Language
ACROS	English
SigmaAldrich	English
ALFA	English

4-Chloro-3-nitrobenzonitrile Usage And Synthesis

Chemical Properties	light yellow crystalline powder
Uses	4-Chloro-3-nitrobenzonitrile may be used in the synthesis of 3-nitro-4-thiocyanobenzonitryl.
General Description	FT-IR and μ-Raman spectra of 4-chloro-3-nitrobenzonitrile have been recorded in the range of 400-4000cm^-1and 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.

4-Chloro-3-nitrobenzonitrile Preparation Products And Raw materials

Preparation Products

4-METHOXY-3-NITROBENZAMIDE-->4-CHLORO-3-NITROBENZAMIDE-->4-Hydroxy-3-nitrobenzonitrile

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