5-Methylnicotinic acid

Basic Information

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CAS Number

3222-49-9

Molecular Formula

C7H7NO2

Molecular Weight

137.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

207-215 °C

Boiling Point

303.9℃ at 760 mmHg

Density

1.2300

Flash Point

137.6℃

Solubility

Sparingly soluble (0.083 g/L at 25°C).

Refractive Index

1.561?

SMILES

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CC1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)

InChIKey

DJDHHXDFKSLEQY-UHFFFAOYSA-N

LogP

1.08822

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

136

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

PD050809
5-Methylnicotinic acid
5-methyl nicotinic acid
GTPL1592
SY004561
5-Methylpyridine-3-carboxylic acid, 97%
3-Pyridinecarboxylic acid, 5-methyl-
AC-616
5-methylpyridine-3-carboxylic acid
A23288
NCIOpen2_001043
PS-4181
CHEMBL247132
NS00006317
DTXSID60292444
Z825019000
5-methyinicotinic acid
5-Bromospiro[cyclohexane-1,3-indol]-2(1H)-one
PB12710
3222-49-9
NSC 82649
Nicotinic acid, 5-methyl-
BDBM50216534
EC 608-720-2
NSC82649
5-METHYLNICOTIC ACID
MFCD00829036
Q27073992
CS-W002700
NSC-82649
5-METHYL-3-PYRIDINECARBOXYLIC ACID

MDL Number

MFCD00829036

Customs Code

2933399090

FAQ

What is 5-Methylnicotinic acid (CAS: 3222-49-9)?

5-Methylnicotinic acid (CAS: 3222-49-9) is a chemical compound with the formula C8H9NO2. It is a derivative of nicotinic acid, featuring a methyl group at the 5th carbon position. This compound is a white crystalline solid, soluble in organic solvents, and exhibits properties relevant to pharmaceutical and industrial applications. It serves as a precursor in the synthesis of various bioactive molecules.

What are the main uses of 5-Methylnicotinic acid (CAS: 3222-49-9)?

5-Methylnicotinic acid (CAS: 3222-49-9) is primarily used in pharmaceutical research for its potential role in metabolic studies and drug development. It also finds applications in the chemical industry as an intermediate for synthesizing other compounds, including nicotinamide derivatives. Additionally, it may be utilized in nutritional supplements and as a component in specialized formulations requiring vitamin B3 analogs.

Is 5-Methylnicotinic acid (CAS: 3222-49-9) safe?

5-Methylnicotinic acid (CAS: 3222-49-9) is generally considered safe when handled properly, but it may cause mild irritation to skin or eyes upon contact. Safety precautions include wearing protective gloves, goggles, and ensuring adequate ventilation. It is not classified as highly toxic, but adherence to standard chemical safety protocols and OSHA guidelines is recommended to minimize risks during handling or storage.

How should 5-Methylnicotinic acid (CAS: 3222-49-9) be stored?

5-Methylnicotinic acid (CAS: 3222-49-9) should be stored in a tightly sealed container in a cool, dry place, away from light. Maintain storage temperature between 2-8°C to ensure stability. Avoid exposure to moisture and incompatible substances. Keep in a well-ventilated area and follow manufacturer guidelines for long-term preservation.