3-Aminoisonicotinonitrile

Basic Information

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CAS Number

78790-79-1

Molecular Formula

C6H5N3

Molecular Weight

108.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Solid

Melting Point

135-138°C

Flash Point

155.127℃

SMILES

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C1=CN=CC(=C1C#N)N

InChI

InChI=1S/C6H5N3/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,8H2

InChIKey

PEZNQSQPDQLHPN-UHFFFAOYSA-N

LogP

0.9722200000000001

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

135

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

3-Amino-4-cyanopyridine, AldrichCPR
3-aminopyridine4-carbonitrile
FT-0601912
PS-4822
SY005936
AM20061507
78790-79-1
3-aminoisonicotinonitrile
PEZNQSQPDQLHPN-UHFFFAOYSA-N
CS-D0761
3-Amino-4-cyanopyridine
EN300-100841
DTXSID90443301
SCHEMBL166316
CL0126
3-aminopyridine-4-carbonitrile
AKOS005199144
MFCD04035596
3-amino4-cyanopyridine
4-PYRIDINECARBONITRILE, 3-AMINO-
AC-1351
AB16955
3-Amino-isonicotinonitrile
A9881
J-511730
3-Aminoisonicotinonitrile
5-AMINO-4-CYANOPYRIDINE
PubChem9759
3-amino-4-cyano-pyridine
KSC497Q6T
SBB051880

MDL Number

MFCD04035596

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 3-Aminoisonicotinonitrile (CAS: 78790-79-1)?

3-Aminoisonicotinonitrile (CAS: 78790-79-1) is a crystalline compound with a molecular weight of approximately 159.14 g/mol. It has a high solubility in water and organic solvents. Chemically, it is moderately reactive, particularly under basic conditions. It exhibits good thermal stability but can undergo hydrolysis under acidic conditions.

How is 3-Aminoisonicotinonitrile (CAS: 78790-79-1) typically synthesized?

3-Aminoisonicotinonitrile (CAS: 78790-79-1) is typically synthesized via a multi-step process starting from nicotinonitrile and ammonia. The reaction involves a nucleophilic substitution where ammonia acts as the nucleophile to replace a cyano group. Catalysts and promoters are used to enhance selectivity and yield, with overall production being efficient under mild conditions.

What industries use 3-Aminoisonicotinonitrile (CAS: 78790-79-1)?

3-Aminoisonicotinonitrile (CAS: 78790-79-1) finds applications in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients. It is also used in the polymer industry for functionalizing polymers. Additionally, it is applied in the development of sensors and as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling 3-Aminoisonicotinonitrile (CAS: 78790-79-1)?

When handling 3-Aminoisonicotinonitrile (CAS: 78790-79-1), it is crucial to wear appropriate Personal Protective Equipment (PPE), including gloves and goggles. Work should be conducted in a well-ventilated area or fume hood. Spills should be immediately contained and cleaned up using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.