| Identification | More | [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 Properties | Back 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 | [BRN ]
1639111 | [InChIKey]
XBLPHYSLHRGMNW-UHFFFAOYSA-N | [CAS DataBase Reference]
939-80-0(CAS DataBase Reference) |
| Safety Data | Back 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 Information | Back 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. |
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