3,4-Dimethoxyphenylacetonitrile

Basic Information

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CAS Number

93-17-4

Molecular Formula

C10H11NO2

Molecular Weight

177.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

62.0 to 66.0 deg-C

Boiling Point

160°C/4mmHg

Density

1.1607 (rough estimate)

Solubility

methanol: 0.1 g/mL, clear

Refractive Index

1.5168 (estimate)

SMILES

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COC1=C(C=C(C=C1)CC#N)OC

InChI

InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3

InChIKey

ASLSUMISAQDOOB-UHFFFAOYSA-N

LogP

1.76988

Complexity

196

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3,4-Dimethoxyphenylacetonitrile
Homoveratronitrile
Veratryl cyanide
3,4-Dimethoxybenzyl cyanide
TIMTEC-BB SBB005899
3,4-dimethoxy-benzeneacetonitril
3,4-dimethoxybenzeneacetonitrile
3,4-dimethoxybenzyl
3,4-dimethoxyphenyl-acetonitril
Acetonitrile, (3,4-dimethoxyphenyl)-
HOMOVERATONITRILE
3,5-DIMETHOXY-BENZENEACETONITRILE
3,4-Dimethyloxy Phenylacetonotrile
(3,4-Dimethoxyphenyl)acetonitrileVeratryl
(3,4-Dimethoxyphenyl)acetonitrile
2-(3,4-dimethoxyphenyl)acetonitrile
(3,4-Dimethoxyphenyl)acetonitrile (Homoveratronitrile)
3, 4 -dimethoxy phenethylamine
3,4-dimethyloxyphenylacetonitrile
Acetaldehyde Solution
Benzeneacetonitrile, 3,4-dimethoxy-
3,4-Dimethylbenzyl cyanide
Acetonitrile, 3,4-(dimethoxyphenyl)-
3,4-DIMETHOXYPHENYL ACETONITRILE
3,4-dimethoxy phenylacetonitrile
ASLSUMISAQDOOB-UHFFFAOYSA-N
62C8S706SP
3,4-Dimethyloxy phenylac
3,4-Dimethoxybenzeneacetonitrile (ACI)
Acetonitrile, (3,4-dimethoxyphenyl)- (6CI, 7CI, 8CI)
2-(3,4-Dimethoxyphenyl)acetonitrile

MDL Number

MFCD00001911

Customs Code

2926909090

FAQ

What is 3,4-Dimethoxyphenylacetonitrile (CAS: 93-17-4)?

3,4-Dimethoxyphenylacetonitrile (CAS: 93-17-4) is an organic compound with the chemical formula C10H10NO2. It features a phenyl ring substituted with methoxy groups at positions 3 and 4, connected to an acetonitrile group. This compound is known for its aromatic structure and potential applications in chemical synthesis, exhibiting solubility in polar solvents and stability under standard conditions.

What are the main uses of 3,4-Dimethoxyphenylacetonitrile (CAS: 93-17-4)?

3,4-Dimethoxyphenylacetonitrile (CAS: 93-17-4) is primarily used as a synthetic intermediate in pharmaceutical and industrial chemistry. It may be employed in the development of organic compounds, drug synthesis, and research applications. Its unique structure makes it valuable for creating derivatives with potential biological or chemical activity, though specific industrial uses are not widely documented.

Is 3,4-Dimethoxyphenylacetonitrile (CAS: 93-17-4) safe?

3,4-Dimethoxyphenylacetonitrile (CAS: 93-17-4) requires careful handling due to its potential toxicity. Exposure may cause irritation, and proper safety measures like PPE and ventilation are essential. While it is not classified as highly hazardous, safety data is limited, so adherence to OSHA guidelines and consultation with professionals for specific handling protocols are recommended.

How should 3,4-Dimethoxyphenylacetonitrile (CAS: 93-17-4) be stored?

3,4-Dimethoxyphenylacetonitrile (CAS: 93-17-4) should be stored in a cool, dry place away from light, typically at 25°C. It is best kept in airtight, sealed containers to prevent moisture absorption and contamination. Stability under normal storage conditions is generally acceptable, but prolonged exposure to high humidity or heat may affect its integrity. Always follow manufacturer guidelines for optimal storage.