3-Hydroxy-5-methylbenzonitrile

Basic Information

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CAS Number

95658-81-4

Molecular Formula

C8H7NO

Molecular Weight

133.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

103.5-104.5 ºC

Boiling Point

282.2±28.0 ºC (760 Torr),

Density

1.17±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

124.4±24.0 ºC,

SMILES

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CC1=CC(=CC(=C1)O)C#N

InChI

InChI=1S/C8H7NO/c1-6-2-7(5-9)4-8(10)3-6/h2-4,10H,1H3

InChIKey

OATUMQZBLZQKBX-UHFFFAOYSA-N

Complexity

158

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

3-Hydroxy-5-methylbenzonitrile
3-Cyano-5-methylphenol
Benzonitrile, 3-hydroxy-5-methyl-
3-Hydroxy-5-methyl-benzonitrile
3-CYANO-5-HYDROXYTOLUENE
OATUMQZBLZQKBX-UHFFFAOYSA-N
MB25636
CM10560
AS06386
ST24022908
Z5409
3-Hydroxy-5-methylbenzonitrile (ACI)
3-hydroxy-5-methylbenzonitrile
AKOS015891318
DS-2087
DB-080322
DTXSID60620622
95658-81-4
MFCD16999137
SCHEMBL509567
TS-01717
EN300-188983

MDL Number

MFCD16999137

FAQ

What regulatory guidelines apply to 3-Hydroxy-5-methylbenzonitrile (CAS: 95658-81-4)?

3-Hydroxy-5-methylbenzonitrile (CAS: 95658-81-4) is regulated under various environmental and safety laws globally. It falls under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a hazardous chemical. In the European Union, it is governed by REACH regulations. For FDA and EPA compliance, it is classified based on its physical and chemical properties. Specific safety data sheets (SDS) should be consulted for detailed requirements and handling guidelines.

Are there alternatives to 3-Hydroxy-5-methylbenzonitrile (CAS: 95658-81-4) in synthesis?

Yes, there are several alternatives to 3-Hydroxy-5-methylbenzonitrile (CAS: 95658-81-4) in synthesis. Common alternatives include benzonitrile and other nitrile compounds with similar functional groups. Isomers like 4-hydroxy-5-methylbenzonitrile can also be considered. Synthetic routes often involve using different reagents such as acrylonitrile, cyanogen chloride, or nitrile transfer reactions depending on the desired yield and purity.

What is the market or research trend for 3-Hydroxy-5-methylbenzonitrile (CAS: 95658-81-4)?

The market for 3-Hydroxy-5-methylbenzonitrile (CAS: 95658-81-4) is driven by its use in pharmaceuticals and polymer synthesis. Research trends show increasing interest in its applications in drug discovery and as a precursor in the development of new materials. Market trends suggest steady demand with potential for growth in niche applications due to its unique chemical properties.

How should waste containing 3-Hydroxy-5-methylbenzonitrile (CAS: 95658-81-4) be handled?

Waste containing 3-Hydroxy-5-methylbenzonitrile (CAS: 95658-81-4) should be collected in appropriate containers and stored in a well-ventilated area. It should be disposed of according to local regulations, often involving incineration or professional waste disposal services. Environmental protection precautions include ensuring no release into the environment and using personal protective equipment during handling. Always refer to the latest safety data sheets (SDS) for specific disposal instructions.