ChemicalBook--->CAS DataBase List--->101084-96-2

101084-96-2

101084-96-2 Structure

101084-96-2 Structure
IdentificationBack Directory
[Name]

2-CYANO-5-NITROANISOLE
[CAS]

101084-96-2
[Synonyms]

2-CYANO-5-NITROANISOLE
2-METHOXY-4-NITROBENZONITRILE
Benzonitrile, 2-methoxy-4-nitro-
2-Methoxy-4-nitrobenzonitrile 99%
2-Methoxy-4-nitrobenzonitrile,98%
2- methoxy -4- nitrobenzene nitrile
[EINECS(EC#)]

278-669-5
[Molecular Formula]

C8H6N2O3
[MDL Number]

MFCD02093781
[MOL File]

101084-96-2.mol
[Molecular Weight]

178.14
Chemical PropertiesBack Directory
[Melting point ]

177-180 °C(lit.)
[Boiling point ]

364.5±27.0 °C(Predicted)
[density ]

1.32
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[color ]

Light yellow to Yellow to Orange
[λmax]

335nm(MeOH)(lit.)
[InChI]

1S/C8H6N2O3/c1-13-8-4-7(10(11)12)3-2-6(8)5-9/h2-4H,1H3
[InChIKey]

MLIKCKXLGYEGAO-UHFFFAOYSA-N
[SMILES]

COc1cc(ccc1C#N)[N+]([O-])=O
[CAS DataBase Reference]

101084-96-2
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-36
[RIDADR ]

UN3439
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2926907090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

2-Methoxy-4-nitrobenzonitrile may be used in the preparation of 4-amino-2-methoxybenzonitrile.
[General Description]

2-Methoxy-4-nitrobenzonitrile is an organic building block.
Spectrum DetailBack Directory
[Spectrum Detail]

2-CYANO-5-NITROANISOLE(101084-96-2)1HNMR
2-CYANO-5-NITROANISOLE(101084-96-2)FT-IR
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