(3-Methoxyphenyl)acetonitrile

Basic Information

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CAS Number

19924-43-7

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

Melting Point

Boiling Point

131°C/4mmHg

Refractive Index

n20/D 1.532(lit.)

SMILES

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

InChI

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

InChIKey

LXKNAUOWEJWGTE-UHFFFAOYSA-N

LogP

1.76128

Complexity

158

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

[3-(methyloxy)phenyl]acetonitrile
NSC 143401
SCHEMBL101334
19924-43-7
3-methoxyphenyl acetonitrile
DTXSID60173704
CS-W007963
EINECS 243-428-5
AKOS000158848
EN300-41178
3-methoxy-phenyl-acetonitrile
3-methoxybenzeneacetonitrile
7W4V7EEP5V
3-Methoxyphenylacetonitrile
STR03186
AC-23559
m-Methoxy benzyl cyanide
(m-Methoxyphenyl)acetonitrile
CHEBI:194899
3-Methoxybenzyl cyanide
Benzeneacetonitrile, 3-methoxy-
SY013554
(3 methoxyphenyl)acetonitrile
(3-methoxyphenyl)-acetonitrile
PS-4176
3-methoxyphenyl-acetonitrile
NSC-143401
PB48453
W-107659
3-Methoxyphenylacetonitrile, 99%
AM82829

MDL Number

MFCD00001910

Customs Code

29269095

FAQ

What are the physical and chemical properties of (3-Methoxyphenyl)acetonitrile (CAS: 19924-43-7)?

(3-Methoxyphenyl)acetonitrile is a colorless or pale yellow liquid with a molecular weight of approximately 167.17 g/mol. It has a melting point of -51°C, boiling point of 176-177°C, and a solubility of up to 10 g/L in water. It is reactive towards nucleophiles and can undergo nucleophilic substitution reactions. This compound is also soluble in common organic solvents like ethanol, acetone, and dichloromethane.

How is (3-Methoxyphenyl)acetonitrile (CAS: 19924-43-7) typically synthesized?

(3-Methoxyphenyl)acetonitrile can be synthesized via the reaction of 3-methoxyphenyl isothiocyanate with acetonitrile in the presence of a base such as potassium carbonate. The reaction is typically carried out at room temperature and yields a product with 90% to 95% selectivity and up to 85% yield. This method provides a straightforward route to the compound.

What industries use (3-Methoxyphenyl)acetonitrile (CAS: 19924-43-7)?

(3-Methoxyphenyl)acetonitrile is used in various industries, including pharmaceuticals for intermediate synthesis, sensors for detecting specific chemical species, and polymers for modifying their properties. It is also utilized in the semiconductor industry for etching and cleaning processes. The compound's unique chemical structure makes it valuable in these applications.

What precautions should be taken when handling (3-Methoxyphenyl)acetonitrile (CAS: 19924-43-7)?

When handling (3-Methoxyphenyl)acetonitrile, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be handled with appropriate absorbents, and the material safety data sheet (MSDS) should be referenced for specific spill procedures. Avoid contact with skin and eyes, and ensure proper disposal according to local regulations. This compound is flammable and can pose health risks if not handled safely.