3-Chloro-5-methoxypyridine

Basic Information

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CAS Number

95881-83-7

Molecular Formula

C6H6ClNO

Molecular Weight

143.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

198.4°Cat760mmHg

Density

1.21

Flash Point

73.8°C

Refractive Index

1.518

SMILES

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COC1=CC(=CN=C1)Cl

InChI

InChI=1S/C6H6ClNO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3

InChIKey

TXBHLLHHHQAFNN-UHFFFAOYSA-N

LogP

1.7435999999999998

Topological Polar Surface Area

22.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

89.1

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Chloro-5-methoxypyridine
2,5-DIMETHYLCINNAMIC ACID
5-chloro-3-methoxypyridine
5-chloro-3-pyridinyl methyl ether
3-Methoxy-5-chloropyridine
3-Chloro-5-methoxypyridine (ACI)
3-Chloro-5-methoxypyridine, AldrichCPR
SY239823
MFCD09910244
AB55073
DTXSID00454908
SCHEMBL1507066
DB-082180
95881-83-7
AS-38124
TXBHLLHHHQAFNN-UHFFFAOYSA-N
CS-0150246
AKOS006314919

MDL Number

MFCD09910244

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-Chloro-5-methoxypyridine (CAS: 95881-83-7)?

3-Chloro-5-methoxypyridine (CAS: 95881-83-7) is a crystalline solid with a molecular weight of approximately 166.58 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly towards nucleophiles. It can undergo substitution reactions and condensation reactions under certain conditions.

How is 3-Chloro-5-methoxypyridine (CAS: 95881-83-7) typically synthesized?

3-Chloro-5-methoxypyridine (CAS: 95881-83-7) is typically synthesized via the reaction of 5-methoxypyridine with chlorine gas in the presence of a phase transfer catalyst like tetrabutylammonium chloride. The reaction proceeds with high selectivity and moderate yield, making it a common method in the synthesis of this compound.

What industries use 3-Chloro-5-methoxypyridine (CAS: 95881-83-7)?

3-Chloro-5-methoxypyridine (CAS: 95881-83-7) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the chemical industry for the production of intermediates and in the electronics industry for use in semiconductor materials.

What precautions should be taken when handling 3-Chloro-5-methoxypyridine (CAS: 95881-83-7)?

When handling 3-Chloro-5-methoxypyridine (CAS: 95881-83-7), it is important to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up carefully following standard procedures. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.