3-Pyridazinecarbonitrile

Basic Information

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CAS Number

53896-49-4

Molecular Formula

C5H3N3

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

43-48 °C

SMILES

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C1=CC(=NN=C1)C#N

InChI

InChI=1S/C5H3N3/c6-4-5-2-1-3-7-8-5/h1-3H

InChIKey

PJESVVYWPFAJCS-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

112

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

SCHEMBL150125
PJESVVYWPFAJCS-UHFFFAOYSA-N
MFCD09881239
DTXSID60545720
AC-25543
AKOS005259479
Z1198236174
FT-0682924
3-pyridazinecarbonitrile
J-512365
CS-0008615
PS-9304
pyridazine-3-carbonitrile
3-Cyanopyridazine
A829816
BCP22397
AM20100324
Pyridazine-3-carbonitrile, 97%
EN300-113351
SY030491
53896-49-4
Methyl2,5-dichloronicotinate
PB19049
3-Pyridazinecarbonitrile
3-Cyano-1,2-diazine
STL555332
RW2864
7702AB
BBL101536
RP18851
ST1130933

MDL Number

MFCD09881239

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 3-Pyridazinecarbonitrile (CAS: 53896-49-4)?

3-Pyridazinecarbonitrile (CAS: 53896-49-4) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) with specific hazard classifications. Under REACH regulations, manufacturers and importers must conduct a safety assessment and register the substance if the tonnage threshold is met. The FDA and EPA may have additional requirements for handling and disposal. Compliance with local safety data sheets (SDS) and labels is essential.

Are there alternatives to 3-Pyridazinecarbonitrile (CAS: 53896-49-4) in synthesis?

Alternatives to 3-Pyridazinecarbonitrile (CAS: 53896-49-4) include other pyridazine derivatives like 2-pyridazinecarbonitrile or 4-pyridazinecarbonitrile. Common alternative reagents in synthesis include anilines, nitriles, and other pyridine derivatives. The choice depends on the desired product and reaction conditions.

What is the market or research trend for 3-Pyridazinecarbonitrile (CAS: 53896-49-4)?

The market trend for 3-Pyridazinecarbonitrile (CAS: 53896-49-4) is driven by its use in pharmaceuticals, agrochemicals, and polymer additives. Research focuses on its potential as a precursor in organic synthesis and its biodegradability. As demand for sustainable materials grows, there is increasing interest in its application in green chemistry and environmentally friendly products.

How should waste containing 3-Pyridazinecarbonitrile (CAS: 53896-49-4) be handled?

Waste containing 3-Pyridazinecarbonitrile (CAS: 53896-49-4) should be collected and stored in sealed, leak-proof containers. Incineration is a common method for disposal, but professional waste disposal services are recommended for safe and compliant handling. Environmental protection measures include ensuring no spillage and proper labeling of waste containers. Follow local regulations for hazardous waste disposal.