[4-(Benzyloxy)phenyl]acetonitrile

Basic Information

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CAS Number

838-96-0

Molecular Formula

C15H13NO

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

66.0 to 70.0 deg-C

Boiling Point

173°C/0.1mmHg

Density

1.114

Flash Point

170-173°C/0.1mm

Refractive Index

1.582

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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C1=CC=C(C=C1)COC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C15H13NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10,12H2

InChIKey

QKEYZRVDFZDOEP-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

253

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

p-benzyloxyphenyl acetonitrile
DTXSID50335071
4-benzyloxyphenyl-acetonitrile
2-(4-(benzyloxy)phenyl)acetonitrile
SCHEMBL2277105
EN300-247913
T71376
2-(4-phenylmethoxyphenyl)acetonitrile
AKOS000184480
[4-(benzyloxy)phenyl]acetonitrile
CS-0456110
838-96-0
4-Benzyloxyphenylacetonitrile
MFCD00016400
(4-benzyloxyphenyl)acetonitrile
FS-3886
FT-0617671
B4734
2-[4-(benzyloxy)phenyl]acetonitrile
AMY24829
4-benzyloxybenzyl cyanide
2-(4-(Benzyloxy)phenyl)acetonitrile
4-Benzyloxybenzyl cyanide
QKEYZRVDFZDOEP-UHFFFAOYSA-N
2-[4-(phenylmethoxy)phenyl]ethanenitrile
PubChem15926
4-Benzyloxybenzeneacetonitrile
(4-benzyloxy-phenyl)-acetonitrile
4-Benzyloxybenzyl Cyanide

MDL Number

MFCD00016400

Customs Code

2926909090

FAQ

What regulatory guidelines apply to [4-(Benzyloxy)phenyl]acetonitrile (CAS: 838-96-0)?

The regulatory guidelines for [4-(Benzyloxy)phenyl]acetonitrile (CAS: 838-96-0) include the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the European Union, and FDA and EPA requirements in the United States. Specific handling, storage, and disposal guidelines are mandated by these regulations to ensure safe and environmentally responsible management of the compound.

Are there alternatives to [4-(Benzyloxy)phenyl]acetonitrile (CAS: 838-96-0) in synthesis?

Several alternatives to [4-(Benzyloxy)phenyl]acetonitrile (CAS: 838-96-0) exist in synthesis, including [4-(Phenoxy)phenyl]acetonitrile and [4-(Methoxy)phenyl]acetonitrile. These analogs can serve as viable substitutes depending on the specific reaction conditions and the desired properties of the final product.

What is the market or research trend for [4-(Benzyloxy)phenyl]acetonitrile (CAS: 838-96-0)?

The market trend for [4-(Benzyloxy)phenyl]acetonitrile (CAS: 838-96-0) reflects growing interest in its use in pharmaceuticals and fine chemicals. Research is focusing on its role as a precursor in various pharmaceutical intermediates and its potential as a functional material in organic electronics. Price trends indicate a stable demand, with minor fluctuations based on production capacity and market demand.

How should waste containing [4-(Benzyloxy)phenyl]acetonitrile (CAS: 838-96-0) be handled?

Waste containing [4-(Benzyloxy)phenyl]acetonitrile (CAS: 838-96-0) should be collected in an appropriate container and stored in a secure location. Incineration or professional waste disposal services are recommended for safe disposal. Environmental protection precautions include ensuring proper ventilation and using personal protective equipment to prevent exposure. Compliance with local waste management regulations is essential to avoid environmental contamination.