Methyl 6-formylnicotinate

Basic Information

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CAS Number

10165-86-3

Molecular Formula

C8H7NO3

Molecular Weight

165.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Boiling Point

273 ºC

Flash Point

119 ºC

SMILES

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COC(=O)C1=CN=C(C=C1)C=O

InChI

InChI=1S/C8H7NO3/c1-12-8(11)6-2-3-7(5-10)9-4-6/h2-5H,1H3

InChIKey

BZOWIADSJYMJJJ-UHFFFAOYSA-N

LogP

0.6807

Topological Polar Surface Area

56.26 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

181

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SCHEMBL655582
Z1139751256
MFCD08275010
6-Formyl-nicotinic acid methyl ester
AKOS005071517
10165-86-3
AM20070112
methyl 6-formylnicotinate, AldrichCPR
Methyl 6-formylpyridine-3-carboxylate
AB44523
6-Formylpyridine-3-carboxylic acid methyl ester;3-Pyridinecarboxylic acid, 6-forMyl-, Methyl ester
CS-D0517
EN300-89660
methyl 2-formylpyridine-5-carboxylate
DTXSID10342968
AB-0711
1199266-89-1
A846456
J-522555
Methyl 6-formylnicotinate #
3-Pyridinecarboxylic acid, 6-formyl-, methyl ester
3-Pyridinecarboxylicacid, 6-formyl-, methyl ester
SY064962
AC-23186
6-Formylnicotinic acid methyl ester
Methyl 6-formylnicotinate
FT-0646839
methyl 6-formylpyridine-3-carboxylate
6-Formylpyridine-3-carboxylic acid methyl ester
BZOWIADSJYMJJJ-UHFFFAOYSA-N
methylformylnicotinate

MDL Number

MFCD08275010

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Methyl 6-formylnicotinate (CAS: 10165-86-3)?

Methyl 6-formylnicotinate (CAS: 10165-86-3) is a white crystalline solid with a molecular weight of approximately 174.23 g/mol. It has a melting point of 150-152°C and is soluble in ethanol and acetone. It is less soluble in water. The compound is relatively stable under normal conditions but can react with strong bases to form 6-formylnicotinic acid. It is also susceptible to hydrolysis in the presence of water and heat.

How is Methyl 6-formylnicotinate (CAS: 10165-86-3) typically synthesized?

Methyl 6-formylnicotinate (CAS: 10165-86-3) can be synthesized via the formylation of methyl nicotinate using a formylating agent such as formic anhydride in the presence of a catalyst like anhydrous aluminum chloride. The reaction involves the addition of formyl groups to the nicotinic acid structure, followed by esterification with methyl alcohol. The yield and selectivity of the reaction can be optimized by controlling the reaction conditions.

What industries use Methyl 6-formylnicotinate (CAS: 10165-86-3)?

Methyl 6-formylnicotinate (CAS: 10165-86-3) is primarily used in the pharmaceutical industry for the synthesis of certain intermediates and drugs. It may also be used in the manufacturing of organic compounds and as a reagent in analytical chemistry. The compound might have applications in the development of new materials and sensors.

What precautions should be taken when handling Methyl 6-formylnicotinate (CAS: 10165-86-3)?

When handling Methyl 6-formylnicotinate (CAS: 10165-86-3), it is important to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be used in a well-ventilated area or under a fume hood to avoid inhalation. Spills should be cleaned up with appropriate absorbent materials and the area should be thoroughly washed. Always consult the Safety Data Sheet (SDS) for detailed handling and storage information.