4-Nitrophthalonitrile

Basic Information

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CAS Number

31643-49-9

Molecular Formula

C8H3N3O2

Molecular Weight

173.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

142.0 to 145.0 deg-C

Boiling Point

389.9℃ at 760 mmHg

Water Solubility

Sparingly soluble in water.(0.26 g/L) (25°C),

Flash Point

189.6 °C

Refractive Index

1.6500 (estimate)

SMILES

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[O-][N+](=O)c1ccc(C#N)c(C#N)c1

InChI

InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H

InChIKey

NTZMSBAAHBICLE-UHFFFAOYSA-N

LogP

1.86136

Complexity

302

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Nitro-1,2-benzenedicarbonitrile
4-nitro-2-benzenedicarbonitrile
4-nitro-phthalonitril
4-NITRO-1,2-DICYANOBENZENE
4-NITRO-O-BENZENEDINITRILE
4-NITROBENZENE-1,2-DINITRILE
4-NITROPHTHALIC ACID DINITRILE
4-NITROPHTHALONITRILE
1,2-DICYANO-4-NITROBENZENE
4-nitrobenzene-1,2-dicarbonitrile
5-Nitrobenzene-1,2-dicarbonitrile
1,2-Benzenedicarbonitrile,4-nitro
3,4-Dicyanonitrobenzene
4-nitrophthalodinitrile
4-nitro-phthalonitrile
5-Nitro-1,2-benzenedicarbonitrile
Phthalonitrile,4-nitro
p-nitrophthalonitrile
1,2-Dicyano-4-nitrobenzene
4-Nitrophthalonitrile

MDL Number

MFCD00040301

FAQ

What is 4-Nitrophthalonitrile (CAS: 31643-49-9)?

4-Nitrophthalonitrile is an organic compound with the chemical formula C8H4N2O2. It is characterized by its nitrile and nitro functional groups attached to a phthalate ring. This compound is known for its stability and is commonly used as an intermediate in the synthesis of various pharmaceutical and industrial chemicals.

What are the main uses of 4-Nitrophthalonitrile (CAS: 31643-49-9)?

4-Nitrophthalonitrile is primarily used in the pharmaceutical industry as a building block for the development of drugs. It also finds applications in organic synthesis and as a precursor for synthetic dyes and other specialty chemicals. Its utility in chemical research is due to its reactivity and structural versatility.

Is 4-Nitrophthalonitrile (CAS: 31643-49-9) safe?

4-Nitrophthalonitrile is considered hazardous due to its potential toxicity. It should be handled with care, using appropriate personal protective equipment (PPE) such as gloves and goggles. Safety data sheets (SDS) recommend avoiding inhalation and skin contact, and it is classified under specific safety standards for chemical handling.

How should 4-Nitrophthalonitrile (CAS: 31643-49-9) be stored?

4-Nitrophthalonitrile should be stored in a cool, dry, and well-ventilated area, away from direct sunlight. It is typically kept in a sealed container to prevent moisture and contamination. Proper storage conditions ensure its chemical stability and prolong its shelf life.