3-Nitrophthalonitrile

Basic Information

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CAS Number

51762-67-5

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

162.0 to 165.0 deg-C

Boiling Point

386.1°C at 760 mmHg

Density

1.41

Water Solubility

Soluble in methanol. Insoluble in water.

Flash Point

187.3℃

Refractive Index

1.602

SMILES

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

InChI

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

InChIKey

UZJZIZFCQFZDHP-UHFFFAOYSA-N

LogP

1.86136

Complexity

302

Safety Information

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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

Synonyms & References

English

3-Nitrophthalodinitrile
AKOS034830330
F0017-1930
AMY17942
nitrophthalonitrile
3-Nitro-1,2-dicyanobenzene
MFCD00191558
N0566
NS00114759
51762-67-5
FT-0601391
3-Nitro-o-benzene dinitrile
2,3-Dicyanonitrobenzene
DTXSID5073531
SY012041
3-nitrobenzene-1,2-dicarbonitrile
3-Nitrophthalonitrile, 99%
UZJZIZFCQFZDHP-UHFFFAOYSA-N
CS-W017559
1,2-Benzenedicarbonitrile, 3-nitro-
3-Nitro-1,2-benzenedicarbonitrile
PS-5048
O11040
EN300-240230
3-nitro-phthalonitrile
J-512976
AC-23691
AKOS000813810
SCHEMBL17347340
SCHEMBL220318
3-Nitrophthalonitrile 3-Nitro-1,2-dicyanobenzene

MDL Number

MFCD00191558

Customs Code

2926909090

FAQ

What is 3-Nitrophthalonitrile (CAS: 51762-67-5)?

3-Nitrophthalonitrile is a synthetic organic compound with the chemical formula C8H4N2O2. It is a yellow solid with a molecular weight of 168.13 g/mol. This compound is known for its aromatic structure and nitrile functional groups, which make it useful in various chemical applications. It is commonly used as an intermediate in the synthesis of pharmaceuticals and other organic compounds.

What are the main uses of 3-Nitrophthalonitrile (CAS: 51762-67-5)?

3-Nitrophthalonitrile finds primary use in pharmaceutical research as a building block for the synthesis of drugs and agrochemicals. It is also employed in industrial settings for the production of dyes, pesticides, and polymers. Due to its reactivity, it serves as a valuable intermediate in organic synthesis and is used in research for developing new materials and chemical compounds.

Is 3-Nitrophthalonitrile (CAS: 51762-67-5) safe?

3-Nitrophthalonitrile is considered hazardous due to its potential to cause irritation and toxicity upon exposure. It should be handled with appropriate protective measures, such as gloves, goggles, and a lab coat. Safety standards recommend working in a well-ventilated area and following proper disposal protocols to minimize environmental and health risks.

How should 3-Nitrophthalonitrile (CAS: 51762-67-5) be stored?

3-Nitrophthalonitrile should be stored in a cool, dry, and well-ventilated place, away from light and moisture. It is best kept in a sealed container made of inert material such as glass or stainless steel. Storage at temperatures below 25°C and in a humidity-controlled environment helps maintain its stability and prevent degradation.