2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile

Basic Information

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CAS Number

93413-76-4

Molecular Formula

C15H19NO2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

125.0 to 129.0 deg-C

Boiling Point

410.146 ºC at 760 mmHg

Density

1.142

Flash Point

201.849 ºC

Refractive Index

1.561

SMILES

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COC1=CC=C(C=C1)C(C#N)C2(CCCCC2)O

InChI

InChI=1S/C15H19NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-10H2,1H3

InChIKey

ASYJSBPNAIDUHX-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

306

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

2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile
1-(cyclohexanol)-(4methoxyphenyl)acetonitrile
1-[2-Amino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol hydrochloride
1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol
1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol
1-(Cyano-(4-methoxyphenyl)ethyl)cyclohexanol
(1-Hydroxycyclohexyl)(4-methoxyphenyl)acetonitrile
[(1-Cyano)-1-(4-Methoxyphenyl)Methyl ] Cyclohexanol
1-(Cyano-(4-methoxyphenyl)methyl)cyclohexanol
1-[Cyano(p-methoxyphenyl)methyl]cyclohexanol
1-[Cyano-(4-methoxyphenyl)methyl]cyclohexanol
1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile
1-Hydroxycyclohexyl-(4-methoxyphenyl)acetonitrile
1-Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile
Venlafaxine Cyano
PubChem15651
1-(hydrocyclohexyl)-(4-methoxyphenyl)acetonitrile
Benzeneacetonitrile, α-(1-hydroxycyclohexyl)-4-methoxy-, (±)- (ZCI)
α-(1-Hydroxycyclohexyl)-4-methoxybenzeneacetonitrile (ACI)
(4-Methoxyphenyl)-(1-hydroxycyclohex-1-yl)acetonitrile
α-(p-Methoxyphenyl)-α-(1-hydroxycyclohexyl)acetonitrile
2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile
KMK8U27KDY
alpha-(1-Hydroxycyclohexyl)-4-methoxybenzeneacetonitrile
alpha(1-Hydroxycyclohexyl)-p-methoxyphenylacetonitrile
MFCD06658142
DTXSID101257342
CS-0186384
H1303
DB-017889
Benzeneacetonitrile, alpha-(1-hydroxycyclohexyl)-4-methoxy-, (+/-)-

MDL Number

MFCD06658142

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile (CAS: 93413-76-4)?

2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile (CAS: 93413-76-4) falls under the regulation of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which categorizes it as a hazardous substance. It is also subject to the REACH regulations in the European Union, which require manufacturers and importers to register substances above a certain tonnage threshold. In the USA, it must comply with FDA and EPA regulations concerning the safety and environmental impact of chemicals.

Are there alternatives to 2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile in synthesis?

Several alternatives to 2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile can be considered in synthesis, such as using 2-(4-hydroxyphenyl)-2-(1-hydroxycyclohexyl)acetonitrile or other nitriles with similar substituents. These alternatives may offer similar reactivity but with different physical and chemical properties, making them suitable for specific applications in research and industry.

What is the market or research trend for 2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile (CAS: 93413-76-4)?

The market for 2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile (CAS: 93413-76-4) is showing a steady growth, driven by increasing demand in pharmaceutical and agrochemical industries. Research trends indicate a focus on the development of new derivatives with enhanced bioactivity and reduced toxicity. The trend also includes exploring its potential in cosmetic formulations and as a precursor in organic synthesis.

How should waste containing 2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile (CAS: 93413-76-4) be handled?

Waste containing 2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile (CAS: 93413-76-4) should be collected in appropriate containers and stored separately to prevent contamination. For disposal, it is recommended to contact a professional waste management service that specializes in hazardous waste. Proper incineration or chemical treatment may be necessary, and disposal methods should comply with local and international environmental regulations.