2-Chloro-4-methoxynicotinonitrile

Basic Information

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CAS Number

98645-43-3

Molecular Formula

C7H5ClN2O

Molecular Weight

157.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

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

White to Yellow Solid

Melting Point

173.0 to 177.0 deg-C

SMILES

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COC1=C(C(=NC=C1)Cl)C#N

InChI

InChI=1S/C7H5ClN2O/c1-11-6-2-3-10-7(8)5(6)4-9/h2-3H,1H3

InChIKey

MOKUXMQJIYHZCA-UHFFFAOYSA-N

LogP

2.0520199999999997

Topological Polar Surface Area

22.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

177

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Air Sensitive

Synonyms & References

English

AC-22520
FT-0691619
2-Chloro-4-methoxynicotinonitrile, AldrichCPR
2K-045
C3282
3-Pyridinecarbonitrile, 2-chloro-4-methoxy-
98645-43-3
2-chloro-4-methoxypyridine-3-carbonitrile
2-Chloro-3-cyano-4-methoxypyridine, 96%
J-508755
2-Chloro-4-methoxynicotinonitrile
CS-D0323
DTXSID90362982
BCP14253
SCHEMBL1313329
AM20061655
AKOS006222694
2-chloro-3-cyano-4methoxypyridine
AB07883
EN300-225898
2-chloro-3-cyano-4-methoxypyridine
MOKUXMQJIYHZCA-UHFFFAOYSA-N
SY061940
MFCD00975444
2-chloro-3cyano-4methoxypyridine
2-Chloro-3-cyano-4-methoxypyridine
2-Chloro-4-methoxy-3-pyridinecarbonitrile
2-Chloro-4-methoxy-nicotinonitrile
PubChem23455
KSC494M2T
FCH919502

MDL Number

MFCD00975444

Customs Code

2933399090

FAQ

What regulatory guidelines apply to 2-Chloro-4-methoxynicotinonitrile (CAS: 98645-43-3)?

2-Chloro-4-methoxynicotinonitrile (CAS: 98645-43-3) falls under the classification of a hazardous chemical. Regulatory guidelines include GHS classification, which categorizes it as a skin and eye irritant. For manufacturing and supplier obligations, REACH regulations require manufacturers and importers to register the substance if it is manufactured or imported in quantities exceeding one tonne per year. Additionally, FDA and EPA regulations require proper handling and disposal to ensure environmental safety and worker protection.

Are there alternatives to 2-Chloro-4-methoxynicotinonitrile (CAS: 98645-43-3) in synthesis?

Alternatives to 2-Chloro-4-methoxynicotinonitrile (CAS: 98645-43-3) in synthesis include 2-Methoxynicotinonitrile and 2-Chloronicotinonitrile. These compounds can be used as substitutes depending on the specific requirements of the chemical reaction. Researchers often explore these options to avoid the use of potentially more hazardous chemicals.

What is the market or research trend for 2-Chloro-4-methoxynicotinonitrile (CAS: 98645-43-3)?

The market for 2-Chloro-4-methoxynicotinonitrile (CAS: 98645-43-3) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on its use as an intermediate in the synthesis of bioactive compounds. However, there is also an emerging trend towards developing safer and more sustainable alternatives, reflecting broader industry shifts towards reducing the use of hazardous chemicals.

How should waste containing 2-Chloro-4-methoxynicotinonitrile (CAS: 98645-43-3) be handled?

Waste containing 2-Chloro-4-methoxynicotinonitrile (CAS: 98645-43-3) should be managed carefully to prevent environmental contamination. Waste liquids should be collected in appropriate containers and stored in a well-ventilated area. For disposal, incineration is a common method, but professional waste disposal services should be utilized to ensure compliance with environmental regulations. Environmental protection measures include proper labeling and documentation of the waste disposal process to ensure safety and regulatory adherence.