(4-Methoxyphenyl)acetonitrile

Basic Information

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CAS Number

104-47-2

Molecular Formula

C9H9NO

Molecular Weight

147.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Liquid

Melting Point

8 ºC

Boiling Point

286-287 °C

Solubility

0.01g/l

Refractive Index

n20/D 1.531(lit.)

SMILES

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

InChI

InChI=1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3

InChIKey

PACGLQCRGWFBJH-UHFFFAOYSA-N

LogP

1.76128

Complexity

150

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Explosive Limit

1.2-9.4%(V)

Synonyms & References

English

p-methoxybenzylcyanide
FT-0618955
Z104476452
4-methoxy phenylacetonitrile
HMS1748O04
4-Methoxybenzylcyanide
CS-W001932
M0856
4-methoxyphenylacetnitrile
1219798-74-9
4-(Methoxyphenyl)acetonitrile
EINECS 203-206-0
Anisylacetonitrile
(4-Methoxy-phenyl)-acetonitrile
BRN 0509162
4-Methoxybenzyl cyanide
p-Methoxyphenylacetonitrile
AM20020127
4-10-00-00555 (Beilstein Handbook Reference)
p-methoxyphenyl acetonitrile
Benzeneacetonitrile, 4-methoxy-
p-Methoxybenzyl cyanide
MFCD00001919
DTXSID0051526
AC-2495
InChI=1/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3
CHEMBL2228958
4-Methoxyphenylacetonitrile, 97%
Q-200492
34M6VU8U7X
NSC96

MDL Number

MFCD00001919

Customs Code

29269095

FAQ

What is (4-Methoxyphenyl)acetonitrile (CAS: 104-47-2)?

(4-Methoxyphenyl)acetonitrile (CAS: 104-47-2) is an organic compound with the chemical formula C8H9NO2. It features a nitrile group (-C≡N) attached to a phenyl ring substituted with a methoxy group (-OCH3) at the 4-position. This compound is a liquid at room temperature, exhibits moderate solubility in organic solvents, and is known for its aromatic and nitrile functional characteristics, making it relevant in chemical synthesis and research.

What are the main uses of (4-Methoxyphenyl)acetonitrile (CAS: 104-47-2)?

(4-Methoxyphenyl)acetonitrile (CAS: 104-47-2) is primarily used as an intermediate in pharmaceutical and industrial applications. It plays a role in the synthesis of drugs, agrochemicals, and materials due to its reactivity. Additionally, it is utilized in research for organic reactions and as a building block for functionalized compounds, leveraging its aromatic and nitrile groups.

Is (4-Methoxyphenyl)acetonitrile (CAS: 104-47-2) safe?

Safety of (4-Methoxyphenyl)acetonitrile (CAS: 104-47-2) requires caution. It is classified as a hazardous substance due to potential toxicity upon inhalation or skin contact. Proper protective measures, such as gloves, goggles, and ventilation, are essential during handling. Safety standards emphasize adherence to OSHA and REACH guidelines to minimize exposure and ensure safe disposal practices.

How should (4-Methoxyphenyl)acetonitrile (CAS: 104-47-2) be stored?

(4-Methoxyphenyl)acetonitrile (CAS: 104-47-2) should be stored in a sealed container in a cool, dry, and dark location to maintain stability. It is best kept at temperatures below 25°C and protected from moisture and air exposure. Storage in an inert atmosphere or refrigeration may be necessary to prevent decomposition and ensure long-term preservation.