4-Hydroxy-3,5-dimethylbenzonitrile

Basic Information

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CAS Number

4198-90-7

Molecular Formula

C9H9NO

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

122.0 to 126.0 deg-C

Boiling Point

310.6°C at 760 mmHg

Flash Point

141.7℃

Refractive Index

1.5290 (estimate)

SMILES

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CC1=CC(=CC(=C1O)C)C#N

InChI

InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3

InChIKey

WFYGXOWFEIOHCZ-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

169

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

J-515484
4-Cyano-2,6-dimethylphenol
3,5,-dimethyl-4-hydroxybenzonitrile
FP7F5WF7R4
PB30622
BENZONITRILE, 4-HYDROXY-3,5-DIMETHYL-
BENZONITRILE, 3,5-DIMETHYL-4-HYDROXY-
FT-0667461
DS-0804
SB10009
PS-4473
4198-90-7
UNII-FP7F5WF7R4
4-Hydroxy-3,5-DiMethyl-Benzonitrile
CHEMBL4207620
DTXSID00194791
MFCD00221716
4-hydroxy-3,5-dimethyl benzonitrile
AM20060814
CS-W020066
D2790
FT-0614672
2,6-Dimethyl-4-cyanophenol
WFYGXOWFEIOHCZ-UHFFFAOYSA-N
BDBM50458420
3,5-Dimethyl-4-hydroxybenzonitrile, 97%
BRN 2574734
BP-10033
SCHEMBL197918
3,5-Dimethyl-4-hydroxybenzonitrile
EN300-91953

MDL Number

MFCD00221716

Customs Code

2926909090

FAQ

What is 4-Hydroxy-3,5-dimethylbenzonitrile (CAS: 4198-90-7)?

4-Hydroxy-3,5-dimethylbenzonitrile (CAS: 4198-90-7) is an aromatic organic compound with the chemical formula C9H9NO. It features a benzene ring substituted with a hydroxyl group, two methyl groups, and a nitrile functional group. Known for its stability and reactivity in synthetic processes, it is commonly used as an intermediate in chemical synthesis.

What are the main uses of 4-Hydroxy-3,5-dimethylbenzonitrile (CAS: 4198-90-7)?

4-Hydroxy-3,5-dimethylbenzonitrile (CAS: 4198-90-7) is primarily utilized in pharmaceutical research as a building block for drug development. It also finds applications in industrial chemistry for producing dyes, polymers, and specialty chemicals. In research settings, it serves as a valuable reagent for organic synthesis and functional group modifications.

Is 4-Hydroxy-3,5-dimethylbenzonitrile (CAS: 4198-90-7) safe?

4-Hydroxy-3,5-dimethylbenzonitrile (CAS: 4198-90-7) is classified as a hazardous chemical due to its potential toxicity. Handling should be done with appropriate PPE, including gloves and safety goggles, and in a well-ventilated area. Safety standards emphasize avoiding skin contact and inhalation, with proper disposal protocols to ensure environmental and health safety.

How should 4-Hydroxy-3,5-dimethylbenzonitrile (CAS: 4198-90-7) be stored?

4-Hydroxy-3,5-dimethylbenzonitrile (CAS: 4198-90-7) should be stored in a cool, dry, and dark place, ideally at 2-8°C. It requires a sealed container to prevent moisture and air exposure, and should be kept away from incompatible substances. Proper storage ensures stability and minimizes the risk of degradation or hazardous reactions.