ChemicalBook--->CAS DataBase List--->939-80-0

939-80-0

939-80-0 Structure

939-80-0 Structure
IdentificationMore
[Name]

4-CHLORO-3-NITROBENZONITRILE
[CAS]

939-80-0
[Synonyms]

4-CHLORO-3-NITROBENZONITRILE
LABOTEST-BB LT00160147
4-chlor-3-nitrobenzonitril
4-chloro-3-nitro-benzonitril
2-chloro-5-cyanonitrobenzene
2-Nitro-4-cyanophenyl chloride
3-Nitro-4-chlorobenzonitrile
[EINECS(EC#)]

213-364-2
[Molecular Formula]

C7H3ClN2O2
[MDL Number]

MFCD00016987
[Molecular Weight]

182.56
[MOL File]

939-80-0.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow crystalline powder
[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 DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

DI3050000
[HS Code ]

29269090
Hazard InformationBack Directory
[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-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.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloro-3-nitrobenzonitrile(939-80-0)MS
4-Chloro-3-nitrobenzonitrile(939-80-0)1HNMR
4-Chloro-3-nitrobenzonitrile(939-80-0)IR1
4-Chloro-3-nitrobenzonitrile(939-80-0)IR2
4-Chloro-3-nitrobenzonitrile(939-80-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Chloro-3-nitrobenzonitrile, 98%(939-80-0)
[Sigma Aldrich]

939-80-0(sigmaaldrich)
[TCI AMERICA]

4-Chloro-3-nitrobenzonitrile,>98.0%(GC)(939-80-0)
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