4-Phenoxybenzonitrile

Basic Information

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CAS Number

3096-81-9

Molecular Formula

C13H9NO

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

42-46 °C

Boiling Point

174°C/4mmHg

Density

1.17

Refractive Index

1.61

SMILES

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C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H9NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H

InChIKey

UYHCIOZMFCLUDP-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

228

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

AM83046
4-Phenoxybenzonitrile, 96%
3096-81-9
DTXSID90184949
FT-0634665
2P-006
EN300-134589
4-Cyanodiphenyl Ether
CS-0039303
2-benzylsulfonylaceticacid
P1649
SY027466
SCHEMBL378478
Benzonitrile, 4-phenoxy-
A876058
AKOS000222228
4-Phenoxybenzonitrile
MFCD00017346
CL8218
W-202280
p-Phenoxybenzonitrile
4-phenoxybenzenecarbonitrile
4-Phenoxy-benzonitril
4-phenoxy-benzonitrile
para-phenoxybenzonitrile
4-phenoxybenzonitrile

MDL Number

MFCD00017346

Customs Code

2926909090

FAQ

What is 4-Phenoxybenzonitrile (CAS: 3096-81-9)?

4-Phenoxybenzonitrile (CAS: 3096-81-9) is an organic compound with the molecular formula C12H10N. It is a colorless or white crystalline solid with a characteristic odor. This compound is used in pharmaceuticals and as an intermediate in the synthesis of other organic compounds.

What are the main uses of 4-Phenoxybenzonitrile (CAS: 3096-81-9)?

4-Phenoxybenzonitrile (CAS: 3096-81-9) is primarily used as an intermediate in the pharmaceutical industry for the synthesis of drugs. It is also used in the production of dyes and other organic compounds. Its specific applications include the synthesis of estrogens and as a solubilizing agent in certain formulations.

Is 4-Phenoxybenzonitrile (CAS: 3096-81-9) safe?

4-Phenoxybenzonitrile (CAS: 3096-81-9) can be handled safely with appropriate precautions. It is important to use personal protective equipment such as gloves, goggles, and a lab coat. Handling should be done in a well-ventilated area to avoid inhalation or skin contact. It is not considered highly toxic but should be treated with care.

How should 4-Phenoxybenzonitrile (CAS: 3096-81-9) be stored?

4-Phenoxybenzonitrile (CAS: 3096-81-9) should be stored in a dry, cool, and well-ventilated place away from sources of heat and ignition. It should be kept in tightly sealed containers to prevent moisture and contamination. Avoid exposure to direct sunlight and high temperatures to maintain its stability.