3-Pyridazinecarboxylic acid

Basic Information

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CAS Number

2164-61-6

Molecular Formula

C5H4N2O2

Molecular Weight

124.1 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

200-209 °C

Boiling Point

404.2±18.0°C at 760 mmHg

Density

1.403

Flash Point

198.3 °C

Refractive Index

1.578

SMILES

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C1=CC(=NN=C1)C(=O)O

InChI

InChI=1S/C5H4N2O2/c8-5(9)4-2-1-3-6-7-4/h1-3H,(H,8,9)

InChIKey

RUUOPSRRIKJHNH-UHFFFAOYSA-N

LogP

0.1747999999999999

Topological Polar Surface Area

63.08 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

116

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Moisture Sensitive

Synonyms & References

English

3-Pyridazine carboxylic acid
2164-61-6
76DXK4XC7R
RUUOPSRRIKJHNH-UHFFFAOYSA-N
FT-0616371
PB21767
3-PIPERIDINOBENZOICACID
NSC110335
SCHEMBL28293
AC-29678
W-206659
PYRIDAZINE-3-CARBOXYLIC ACID
Pyridazine-3-carboxylic acid, 97%
A815575
Z1201621268
SY013220
pyridazine carboxylic acid
3-Pyridazinecarboxylic acid
NSC-110335
BCP26827
U 27136
EN300-79022
DTXSID80296601
NCGC00337040-01
3-Pyridazinecarboxylicacid
CS-W004823
PYRIDAZINE-3-CARBOXYLICACID
217447-50-2
3-Carboxypyridazine
U-27136
MFCD01646333

MDL Number

MFCD01646333

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-Pyridazinecarboxylic acid (CAS: 2164-61-6)?

3-Pyridazinecarboxylic acid is a crystalline solid with a molecular weight of approximately 143.12 g/mol. It has a melting point of 212-214°C and is slightly soluble in water. This compound is reactive towards nucleophiles and can undergo substitution reactions. It is typically stored in a closed container to protect it from moisture and air exposure.

How is 3-Pyridazinecarboxylic acid (CAS: 2164-61-6) typically synthesized?

3-Pyridazinecarboxylic acid can be synthesized via the condensation of 3-pyridazinecarboxaldehyde with hydroxylamine. The reaction is typically conducted under mild conditions using a catalytic amount of a Lewis acid like aluminum trichloride to improve yield and selectivity. The product can be purified by recrystallization from an appropriate solvent.

What industries use 3-Pyridazinecarboxylic acid (CAS: 2164-61-6)?

3-Pyridazinecarboxylic acid finds applications in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also used in the polymer industry for the development of functional polymers and in the sensor industry for its ability to respond to specific chemical analytes. Additionally, it is used in the semiconductor industry due to its electronic properties.

What precautions should be taken when handling 3-Pyridazinecarboxylic acid (CAS: 2164-61-6)?

When handling 3-Pyridazinecarboxylic acid, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a cool, dry place away from heat and incompatible materials. If a spill occurs, it should be carefully cleaned up with appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.