ChemicalBook--->CAS DataBase List--->35213-00-4

35213-00-4

35213-00-4 Structure

35213-00-4 Structure
IdentificationMore
[Name]

2,6-DINITROBENZONITRILE
[CAS]

35213-00-4
[Synonyms]

2,6-DINITROBENZONITRILE
2,6-DINITROBENZONITRILE, 98+%
[EINECS(EC#)]

233-305-4
[Molecular Formula]

C7H3N3O4
[MDL Number]

MFCD00041246
[Molecular Weight]

193.12
[MOL File]

35213-00-4.mol
Chemical PropertiesBack Directory
[Melting point ]

147-149°C
[Boiling point ]

391.379±32.00 °C(Press: 760.00 Torr)(predicted)
[density ]

1.555±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[storage temp. ]

Store at room temperature
[Appearance]

Light yellow to light brown Solid
[BRN ]

2215516
[InChI]

InChI=1S/C7H3N3O4/c8-4-5-6(9(11)12)2-1-3-7(5)10(13)14/h1-3H
[InChIKey]

ZYDGHQSJZAFMLU-UHFFFAOYSA-N
[SMILES]

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

35213-00-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
[Hazard statements ]

H301-H312-H315-H319-H332-H373
[Precautionary statements ]

P260-P280-P301+P310a-P305+P351+P338-P405-P501a
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

3439
[HazardClass ]

6.1
[PackingGroup ]

III
Hazard InformationBack Directory
[Uses]

2,6-Dinitrobenzonitrile can be used in medicine and organic synthesis.
[Reactions]

2,6-Dinitrobenzonitrile can react with strong oxidizing agents.
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 33, p. 434, 1990 DOI: 10.1021/jm00163a067
The Journal of Organic Chemistry, 37, p. 3224, 1972 DOI: 10.1021/jo00986a007
[Hazard]

2,6-Dinitrobenzonitrile has acute oral toxicity, acute dermal toxicity and acute Inhalation toxicity, it causes skin irritation and serious eye irritation.
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-DINITROBENZONITRILE(35213-00-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,6-Dinitrobenzonitrile, 98+%(35213-00-4)
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