5-chloro-6-hydroxynicotinic acid

Basic Information

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CAS Number

54127-63-8

Molecular Formula

C6H4ClNO3

Molecular Weight

173.56 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

284-286 ºC

Boiling Point

334.6 ℃ at 760 mmHg

Density

1.4914 (rough estimate)

Flash Point

156.1℃

Refractive Index

1.5810 (estimate)

SMILES

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C1=C(C(=O)NC=C1C(=O)O)Cl

InChI

InChI=1S/C6H4ClNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2H,(H,8,9)(H,10,11)

InChIKey

OLTRUTPHSBQWAZ-UHFFFAOYSA-N

LogP

1.1387999999999998

Topological Polar Surface Area

70.42 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

280

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

Synonyms & References

English

TS-02388
3-Chloro-2-hydroxypyridine-5-carboxylic acid
54127-63-8
CL0217
5-chloro-6-hydroxynicotinoic acid
AC-3578
Z752370728
FT-0640222
AB02225
5-Chloro-6-hydroxynicotinic acid
MixCom3_000058
AMY23286
5-Chloro-6-hydroxynicotinicacid
MFCD00052950
AKOS005257331
5-chloro-6-oxo-1H-pyridine-3-carboxylic acid
Maybridge1_008981
CS-W002256
AKOS023203854
A7871
5-chloro-6-hydroxypyridine-3-carboxylic acid
3-PYRIDINECARBOXYLIC ACID, 5-CHLORO-1,6-DIHYDRO-6-OXO-
5-CHLORO-6-OXO-1,6-DIHYDROPYRIDINE-3-CARBOXYLIC ACID
F2191-0129
DTXSID60344795
SCHEMBL199221
STR03877
J-517374
SY007567
C1758
5-Chloro-6-hydroxy-3-pyridinecarboxylic Acid

MDL Number

MFCD00052950

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 5-chloro-6-hydroxynicotinic acid (CAS: 54127-63-8)?

5-Chloro-6-hydroxynicotinic acid (CAS: 54127-63-8) is a solid with a white crystalline form. It has a molecular weight of approximately 174.58 g/mol and is slightly soluble in water. It is moderately reactive and can undergo substitution reactions. The compound is stable under normal conditions but should be stored in a sealed container to prevent moisture absorption.

How is 5-chloro-6-hydroxynicotinic acid (CAS: 54127-63-8) typically synthesized?

5-Chloro-6-hydroxynicotinic acid (CAS: 54127-63-8) can be synthesized via a multi-step process. Common methods include the chlorination of 6-hydroxynicotinic acid followed by acidification. This process requires careful control of temperature and pH to achieve high yield and selectivity. Catalysts such as sulfuric acid are often used in the chlorination step.

What industries use 5-chloro-6-hydroxynicotinic acid (CAS: 54127-63-8)?

5-Chloro-6-hydroxynicotinic acid (CAS: 54127-63-8) is primarily used in the pharmaceutical and chemical industries. It is a key intermediate in the synthesis of various drugs and can be used as a building block for further chemical modifications in the development of new pharmaceuticals. Additionally, it has applications in the production of certain dyes and pigments.

What precautions should be taken when handling 5-chloro-6-hydroxynicotinic acid (CAS: 54127-63-8)?

When handling 5-chloro-6-hydroxynicotinic acid (CAS: 54127-63-8), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be stored in a well-ventilated area and used in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and the area flushed with water. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.