3-Chloroisonicotinonitrile

Basic Information

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CAS Number

68325-15-5

Molecular Formula

C6H3ClN2

Molecular Weight

127.57 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Solid

Melting Point

72.0 to 76.0 deg-C

Boiling Point

233.3℃ at 760 mmHg

Density

1.331

Flash Point

94.899℃

Refractive Index

1.566

SMILES

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C1=CN=CC(=C1C#N)Cl

InChI

InChI=1S/C6H3ClN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H

InChIKey

JLLJPPBGJVCFGG-UHFFFAOYSA-N

LogP

2.04342

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

137

Safety Information

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GHS Hazard Pictograms

H311

H302

H332

H315

H319

H335

Hazard Statement

H311 Toxic in contact with skin
Acute toxicity, dermal

H302 Harmful if swallowed
Acute toxicity, oral

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

J-512222
AM804228
A9107
2,3-Butanediol,1,4-dimercapto-, (2R,3S)-rel-
3-Chloro-isonicotinonitrile
BCP34252
SY007546
3-chloro-4-pyridine carbonitrile
Z1201623149
3-chloroisonicotinonitrile
JLLJPPBGJVCFGG-UHFFFAOYSA-N
EN300-100844
3-CHLORO-4-PYRIDINECARBONITRILE
C2998
4-PYRIDINECARBONITRILE, 3-CHLORO-
CS-W003228
PS-4536
AKOS005199115
SCHEMBL190868
4-Pyridinecarbonitrile,3-chloro-
DTXSID40443311
3-chloropyridine-4-carbonitrile
FT-0647768
68325-15-5
GEO-03482
MFCD05663706
AC-1913
AB21895
3-Chloro-4-cyanopyridine
3-Chloropyridine-4-carbonitrile
3-chloro-5-cyanopyridine

MDL Number

MFCD05663706

Customs Code

2933399090

FAQ

What regulatory guidelines apply to 3-Chloroisonicotinonitrile (CAS: 68325-15-5)?

3-Chloroisonicotinonitrile (CAS: 68325-15-5) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the European Union, and the Environmental Protection Agency (EPA) and Food and Drug Administration (FDA) in the United States. Manufacturers and importers must ensure that products are labeled and packaged in compliance with these regulations.

Are there alternatives to 3-Chloroisonicotinonitrile (CAS: 68325-15-5) in synthesis?

There are several alternatives to 3-Chloroisonicotinonitrile (CAS: 68325-15-5) that can be used in synthesis, such as 2-chloroisonicotinonitrile or other nitriles with similar functional groups. These alternatives can vary in reactivity and commercial availability, making them suitable for different applications.

What is the market or research trend for 3-Chloroisonicotinonitrile (CAS: 68325-15-5)?

The market for 3-Chloroisonicotinonitrile (CAS: 68325-15-5) is driven by its use in pharmaceuticals and agrochemicals. Research trends are focused on its potential applications in novel drug discovery and pesticide development, with ongoing studies exploring its efficacy and safety in these fields.

How should waste containing 3-Chloroisonicotinonitrile (CAS: 68325-15-5) be handled?

Waste containing 3-Chloroisonicotinonitrile (CAS: 68325-15-5) should be collected in compatible containers and stored in a secure, well-ventilated area. It should be disposed of through professional waste disposal services to ensure compliance with environmental regulations. Incineration is an acceptable method, but care must be taken to prevent the release of harmful gases. Environmental precautions, such as neutralizing the waste before disposal, should also be considered.