6-Isopropyl-4-oxo-4H-chromene-3-carbonitrile

Basic Information

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CAS Number

50743-32-3

Molecular Formula

C13H11NO2

Molecular Weight

17.03 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

117.0 to 121.0 deg-C

Boiling Point

320.4°C at 760 mmHg

Density

1.2

Flash Point

139.3°C

Refractive Index

1.578

SMILES

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CC(C)C1=CC2=C(C=C1)OC=C(C2=O)C#N

InChI

InChI=1S/C13H11NO2/c1-8(2)9-3-4-12-11(5-9)13(15)10(6-14)7-16-12/h3-5,7-8H,1-2H3

InChIKey

IMVAJLIIWCJMJP-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

375

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

MFCD00191961
CS-0154270
C2661
AC-4712
WLZ3530
4-oxo-6-propan-2-ylchromene-3-carbonitrile
50743-32-3
DS-3346
SY052668
FT-0639941
BCP10755
6-isopropyl-4-oxo-4h-chromene-3-carbonitrile
6-Isopropylchromone-3-carbonitrile
DTXSID10352906
6-Isopropyl-4-oxo-4H-1-benzopyran-3-carbonitrile
AKOS015889666
IMVAJLIIWCJMJP-UHFFFAOYSA-N
SCHEMBL8071003
3-Cyano-6-isopropylchromone
A24904
6-Isopropyl-4-oxo-4H-1-benzopuran-3-carbonitrile;-Oxo-6-isopropyl-4H-1-benzopyran-3-carbonitrile
C75381
6-Isopropyl-4-oxo-4H-chromene-3-carbonitrile
6-Isopropyl-4-oxo-4H-1-benzopuran-3-carbonitrile
3-CYANO-6-ISOPROPYLCHROMONE
6-(1-methylethyl)-4-oxo-4H-1-benzopyran-3-carbonitrile
[ "" ]
AK105184
PubChem9705
EBD14677
VZ30784

MDL Number

MFCD00191961

FAQ

What is 6-Isopropyl-4-oxo-4H-chromene-3-carbonitrile (CAS: 50743-32-3)?

6-Isopropyl-4-oxo-4H-chromene-3-carbonitrile (CAS: 50743-32-3) is a chromene derivative with the molecular formula C15H12N2O. It is a colorless to white solid with a pungent odor. This compound is used in pharmaceutical and chemical research as a precursor for synthesis of other compounds.

What are the main uses of 6-Isopropyl-4-oxo-4H-chromene-3-carbonitrile (CAS: 50743-32-3)?

6-Isopropyl-4-oxo-4H-chromene-3-carbonitrile (CAS: 50743-32-3) is primarily used in the synthesis of other organic compounds, particularly in pharmaceutical research and development. It serves as a key intermediate in the production of various drug candidates and research chemicals.

Is 6-Isopropyl-4-oxo-4H-chromene-3-carbonitrile (CAS: 50743-32-3) safe?

6-Isopropyl-4-oxo-4H-chromene-3-carbonitrile (CAS: 50743-32-3) is generally considered safe when handled with appropriate precautions. Users should be aware of its irritant properties and should wear appropriate personal protective equipment. It should be used in a well-ventilated area to avoid inhalation and contact with skin and eyes.

How should 6-Isopropyl-4-oxo-4H-chromene-3-carbonitrile (CAS: 50743-32-3) be stored?

6-Isopropyl-4-oxo-4H-chromene-3-carbonitrile (CAS: 50743-32-3) 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. Proper storage conditions are essential to maintain the compound's stability and prevent degradation.