3-Quinolinecarbonitrile

Basic Information

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CAS Number

34846-64-5

Molecular Formula

C10H6N2

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

108-110 °C

Boiling Point

323.7 °C at 760 mmHg

Density

1.2100

Flash Point

323.7 °C at 760 mmHg

Refractive Index

1.654

SMILES

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C1=CC=C2C(=C1)C=C(C=N2)C#N

InChI

InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H

InChIKey

QZZYYBQGTSGDPP-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

203

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

NSC 44644
SY066101
Quinolin-3-carbonitrile
3-Cyanoquinoline
NSC44644
J-019781
CS-W010935
34846-64-5
Quinoline-3-carbonitrile
TS-02059
SB36763
Z609090814
NS00029738
EINECS 252-248-6
BDBM50526481
KDV
AC-8732
DTXSID70188400
6GHZ8PDL63
AKOS004910368
3-Quinolinecarbonitrile
Quinoline-3-nitrile
NSC-44644
3-Quinolinecarbonitrile, 98%
MFCD00006766
CHEMBL4524183
SCHEMBL63442
FT-0639216
EN300-51131
3-CYANO-QUINOLINE
3-cyanoisoquinoline

MDL Number

MFCD00006766

Customs Code

2933499090

FAQ

What is 3-Quinolinecarbonitrile (CAS: 34846-64-5)?

3-Quinolinecarbonitrile is an organic compound with the CAS number 34846-64-5. It is a colorless solid with a characteristic odor. The molecular formula is C10H7CN. It is soluble in common organic solvents and has a melting point of 106-107°C.

What are the main uses of 3-Quinolinecarbonitrile (CAS: 34846-64-5)?

3-Quinolinecarbonitrile is primarily used in the synthesis of various pharmaceuticals, particularly as an intermediate for the production of antifungal agents. It is also used as a chemical reagent in organic synthesis and as a ligand in coordination chemistry.

Is 3-Quinolinecarbonitrile (CAS: 34846-64-5) safe?

3-Quinolinecarbonitrile is generally safe when handled with proper precautions. However, it is toxic if ingested or inhaled. Direct contact with skin and eyes should be avoided. Protective measures include wearing gloves, protective clothing, and a respirator when necessary.

How should 3-Quinolinecarbonitrile (CAS: 34846-64-5) be stored?

3-Quinolinecarbonitrile should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should not exceed 25°C to maintain its stability and safety.