2-Cyanoisonicotinic acid

Basic Information

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CAS Number

161233-97-2

Molecular Formula

C7H4N2O2

Molecular Weight

148.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

478.4°C at 760 mmHg

Flash Point

243.1℃

SMILES

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C1=CN=C(C=C1C(=O)O)C#N

InChI

InChI=1S/C7H4N2O2/c8-4-6-3-5(7(10)11)1-2-9-6/h1-3H,(H,10,11)

InChIKey

MPSVJNPESHZCIB-UHFFFAOYSA-N

LogP

0.65148

Complexity

206

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

2-cyanopyridine-4-carboxylic Acid
2-Cyanoisonicotinicacid
MPSVJNPESHZCIB-UHFFFAOYSA-N
2-Cyanoisonicotinic acid
C3396
4-PYRIDINECARBOXYLIC ACID, 2-CYANO-
2-CYANO-4-PYRIDINE CARBOXYLIC ACID
BCP18492
SCHEMBL2226500
J-509210
2-Cyano-4-pyridinecarboxylic acid
MFCD03411729
AC-14228
2-cyano-4-pyridine carboxylic acid, AldrichCPR
DS-11359
FT-0612089
SY013088
AKOS006278883
AMY329
CS-W006242
EN300-100131
161233-97-2
F1967-1760
Z1198162090
2-Cyano- 4-pyridinecarboxylic acid
2-Cyano-4-pyridine carboxylic acid
AB14211
DTXSID30376280
2-CYANOPYRIDINE-4-CARBOXYLIC ACID
2-CYANO-4-PYRIDINE CARBOXYLIC ACID
4-Pyridinecarboxylicacid,2-cyano-(9CI)

MDL Number

MFCD03411729

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Cyanoisonicotinic acid (CAS: 161233-97-2)?

2-Cyanoisonicotinic acid is a white crystalline solid with a molecular weight of approximately 191.15 g/mol. It has a high melting point of 234-236°C and is slightly soluble in water. Chemically, it is reactive towards bases and is a potent Lewis acid, often used in organic synthesis and as a catalyst in various reactions.

How is 2-Cyanoisonicotinic acid (CAS: 161233-97-2) typically synthesized?

2-Cyanoisonicotinic acid can be synthesized by the reaction of nicotinic acid with cyanogen chloride. The yield is around 85%, with the reaction being carried out in a suitable solvent such as ethanol. Palladium catalysts are often used to increase selectivity and yield. The product is then purified by recrystallization from a suitable solvent.

What industries use 2-Cyanoisonicotinic acid (CAS: 161233-97-2)?

2-Cyanoisonicotinic acid is used in the pharmaceutical industry for the synthesis of certain drugs, as a Lewis acid catalyst in organic synthesis, and in the development of sensors and semiconductors. It is also utilized in the polymer industry for the modification of polymer properties and in analytical chemistry for developing new reagents and detection methods.

What precautions should be taken when handling 2-Cyanoisonicotinic acid (CAS: 161233-97-2)?

When handling 2-Cyanoisonicotinic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, dry place away from incompatible materials. In case of a spill, use appropriate spill response materials and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.