Methyl 4-chloro-2-methoxynicotinate

Basic Information

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CAS Number

1256826-55-7

Molecular Formula

C8H8ClNO3

Molecular Weight

201.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

258.0±35.0 ºC (760 Torr),

Flash Point

109.9±25.9 ºC,

SMILES

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COC1=NC=CC(=C1C(=O)OC)Cl

InChI

InChI=1S/C8H8ClNO3/c1-12-7-6(8(11)13-2)5(9)3-4-10-7/h3-4H,1-2H3

InChIKey

QGZHMVMVSJXJTL-UHFFFAOYSA-N

LogP

1.5302

Topological Polar Surface Area

48.42 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

188

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Methyl 4-chloro-2-methoxynicotinate
Methyl 4-chloro-2-methoxynicotite
methyl 4-chloro-2-methoxypyridine-3-carboxylate
AKOS016009035
SY103798
Methyl4-Chloro-2-methoxynicotinate
AC-33315
1256826-55-7
DA-32475
A889991
3-Pyridinecarboxylic acid, 4-chloro-2-methoxy-, methyl ester
C72030
DS-4392
3-Pyridinecarboxylic acid, 4-chloro-2-Methoxy-, ethyl ester
CS-0042902
SCHEMBL3828695
DTXSID70739057
MFCD18257740

MDL Number

MFCD18257740

FAQ

What are the physical and chemical properties of Methyl 4-chloro-2-methoxynicotinate (CAS: 1256826-55-7)?

Methyl 4-chloro-2-methoxynicotinate (CAS: 1256826-55-7) is a crystalline compound with a molecular weight of approximately 249.6 g/mol. It has a melting point of around 115-117°C and is slightly soluble in water. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is also susceptible to hydrolysis under basic conditions.

How is Methyl 4-chloro-2-methoxynicotinate (CAS: 1256826-55-7) typically synthesized?

Methyl 4-chloro-2-methoxynicotinate (CAS: 1256826-55-7) is typically synthesized via the chlorination of 2-methoxynicotinic acid. The reaction is catalyzed by thionyl chloride (SOCl2) and proceeds with high yield and good selectivity. The process usually involves heating the mixture to around 80°C for a few hours.

What industries use Methyl 4-chloro-2-methoxynicotinate (CAS: 1256826-55-7)?

Methyl 4-chloro-2-methoxynicotinate (CAS: 1256826-55-7) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also utilized in the agricultural sector as a starting material for herbicides. Additionally, it has applications in the chemical industry for the production of other compounds and in research and development activities.

What precautions should be taken when handling Methyl 4-chloro-2-methoxynicotinate (CAS: 1256826-55-7)?

When handling Methyl 4-chloro-2-methoxynicotinate (CAS: 1256826-55-7), it is essential to wear appropriate Personal Protective Equipment (PPE), including gloves, goggles, and a laboratory coat. Use a fume hood during operations to minimize exposure to vapors. Spills should be handled with caution using appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed information on handling and storage guidelines.