Isonicotinonitrile

Basic Information

View in Editor

CAS Number

100-48-1

Molecular Formula

C6H4N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

77.0 to 81.0 deg-C

Boiling Point

198°C

Water Solubility

3.2 g/100ml (16.4 ºC)

Flash Point

88 ºC

Solubility

40g/l

Refractive Index

1.5242 (estimate)

SMILES

View in Editor

C1=CN=CC=C1C#N

InChI

InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H

InChIKey

GPHQHTOMRSGBNZ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

105

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

H312

H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Stability

Stable. Incompatible with strong bases, strong oxidizing agents, strong acids.

Sensitiveness

prone to moisture absorption

Synonyms & References

English

DTXSID9041528
CS-0015782
NSC 60681
BY3226D010
Isonicotinonitrile
p-cyanopyridine
EN300-18319
MFCD00006417
ISONIAZID IMPURITY C (EP)
EINECS 202-856-2
NCGC00254647-01
4-Pyridinenitrile
CAS-100-48-1
DS-16750
NSC60681
Tox21_300741
NCGC00248155-01
UNII-BY3226D010
Isonicotinic acid nitrile
CHEMBL504918
GPHQHTOMRSGBNZ-UHFFFAOYSA-
pyridine-4-carbonitrile
SB52238
Q-200465
AI3-19232
A16206
NS00022985
4-Pyridinecarbonitrile, 98%
BCP30880
InChI=1/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
100-48-1

MDL Number

MFCD00006417

Customs Code

2933399010

FAQ

What is Isonicotinonitrile (CAS: 100-48-1)?

Isonicotinonitrile, with the CAS number 100-48-1, is a chemical compound with the molecular formula C6H5N3. It is a white solid at room temperature and is known for its nitrile functional group. Isonicotinonitrile is commonly used as an intermediate in organic synthesis and is characterized by its high reactivity and potential for forming various derivatives.

What are the main uses of Isonicotinonitrile (CAS: 100-48-1)?

Isonicotinonitrile is widely utilized in the pharmaceutical industry for the synthesis of drugs such as pyrazinamide and nicotinic acid derivatives. It also finds applications in the production of pesticides, dyes, and other industrial chemicals. In research settings, it serves as a valuable starting material for the development of new compounds and materials due to its versatile chemical properties.

Is Isonicotinonitrile (CAS: 100-48-1) safe?

Isonicotinonitrile is considered toxic if ingested or inhaled, and it may cause eye and skin irritation. Proper handling, including the use of personal protective equipment (PPE), is essential. Safety standards recommend working in a well-ventilated area and following guidelines set by OSHA and EPA for chemical exposure and disposal.

How should Isonicotinonitrile (CAS: 100-48-1) be stored?

Isonicotinonitrile should be stored in a cool, dry, and well-ventilated place, away from light and moisture. It is best kept in a sealed container made of glass or plastic to prevent contamination. Storage conditions should maintain a temperature below 25°C and ensure low humidity to preserve stability and prevent degradation.