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612-24-8

612-24-8 Structure

612-24-8 Structure
IdentificationMore
[Name]

2-Nitrobenzonitrile
[CAS]

612-24-8
[Synonyms]

2-CYANONITROBENZENE
2-NITROBENZONITRILE
O-NITROBENZONITRILE
(o-Nitrophenyl)acetonitrile
2-Nitrobenzoesαurenitril
2-nitro-benzonitril
Benzonitrile, 2-nitro-
Benzonitrile, o-nitro-
Benzonitrile,2-nitro-
o-Cyanonitrobenzene
o-nitro-benzonitril
2-Nitrobenzonitrile,98+%
1-Nitro-2-cyanobenzene
1-Cyano-2-nitrobenzene
[EINECS(EC#)]

210-301-0
[Molecular Formula]

C7H4N2O2
[MDL Number]

MFCD00007044
[Molecular Weight]

148.12
[MOL File]

612-24-8.mol
Chemical PropertiesBack Directory
[Appearance]

YELLOW CRYSTALLINE POWDER
[Melting point ]

107-109 °C (lit.) 108-110 °C
[Boiling point ]

165 °C (16 mmHg)
[density ]

1.4015 (rough estimate)
[refractive index ]

1.5300 (estimate)
[Fp ]

165°C/16mm
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder
[color ]

Yellow
[Water Solubility ]

Insoluble in water.
[BRN ]

638987
[InChI]

InChI=1S/C7H4N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H
[InChIKey]

SWBDKCMOLSUXRH-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=CC=C1[N+]([O-])=O
[CAS DataBase Reference]

612-24-8(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Nitrobenzoic acid nitrile(612-24-8)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H332
[Precautionary statements ]

P261-P264-P270-P271-P301+P312-P304+P340+P312
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

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

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

3276
[WGK Germany ]

3
[RTECS ]

DI4903000
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
Hazard InformationBack Directory
[Chemical Properties]

YELLOW CRYSTALLINE POWDER
[Uses]

ET catalysis of Au25 in intramolecular cascade reaction of 2-nitrobenzonitrile, from which 2-amniobenzamide (a precursor of significant pharmaceuticals20,21) is produced with high yield. fluorodenitration of 2-nitrobenzonitrile with Rb18F in DMSO gave an 85% yield of the 18F-labelled benzonitrile after only 20 minutes at 150°C.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Nitrobenzonitrile(612-24-8)MS
2-Nitrobenzonitrile(612-24-8)IR1
2-Nitrobenzonitrile(612-24-8)IR2
2-Nitrobenzonitrile(612-24-8)Raman
2-Nitrobenzonitrile(612-24-8)ESR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Nitrobenzonitrile, 98+%(612-24-8)
[Sigma Aldrich]

612-24-8(sigmaaldrich)
[TCI AMERICA]

2-Nitrobenzonitrile,>98.0%(GC)(612-24-8)
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