4-(4-Methylphenoxy)benzonitrile

CAS Number: 37563-42-1

Molecular Formula: C14H11NO

Purity: 4-(4-Methylphenoxy)benzonitrile 99.6% purity

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About 4-(4-Methylphenoxy)benzonitrile

4-(4-Methylphenoxy)benzonitrile (CAS 37563-42-1) is emerging as a critical structural component in the North American API intermediates market, where its dual-ring ether scaffold is increasingly utilized by US-based CDMOs for the synthesis of complex nitrogen-containing heterocycles and novel oncology drug candidates r...

4-(4-Methylphenoxy)benzonitrile Specifications

CAS Number

37563-42-1

Molecular Formula

C14H11NO

Molecular Weight

209.24 g/mol

IUPAC Name

4-(4-methylphenoxy)benzonitrile

Canonical SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C#N

InChI Key

ISMMAUUEMOWLIC-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NO/c1-11-2-6-13(7-3-11)16-14-8-4-12(10-15)5-9-14/h2-9H,1H3

PubChem CID

4046050

MDL Number

MFCD01360181

HSN No

29269000

CAS Number

37563-42-1

Molecular Formula

C14H11NO

Molecular Weight

209.24 g/mol

IUPAC Name

4-(4-methylphenoxy)benzonitrile

Canonical SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C#N

InChI Key

ISMMAUUEMOWLIC-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NO/c1-11-2-6-13(7-3-11)16-14-8-4-12(10-15)5-9-14/h2-9H,1H3

PubChem CID

4046050

MDL Number

MFCD01360181

HSN No

29269000

Molecular Weight

209.24 g/mol

Purity

4-(4-Methylphenoxy)benzonitrile 99.6% purity

Melting Point

71.5-73.5 °C

Boiling Point

338.7±25.0 °C (Predicted)

Freezing point

69-72°C

Density

1.14 g/cm3

Precise Quality

37563-42-1

PSA

33 Å²

logP

3.5

Average mass

209.24 g/mol

Monoisotopic mass

209.084063974 Da

Molar mass

209.24 g/mol

Vapour pressure

0.00161 Pa at 25 °C

Precautionary Statement Codes

P280 and P305+P351+P338

Hazard Classes and Categories

Acute Tox. 4 (100%)

Agrochemical Intermediate

A critical organic intermediate primarily used as a precursor in the synthesis of the insecticide and acaricide Tolfenpyrad via the reduction to 4-(4-methylphenoxy)benzylamine

Pharmaceutical Intermediate

An important building block utilized in the synthesis of various medicinal compounds and heterocyclic systems, such as quinazolines and benzodiazepines

Dye Intermediate

A versatile starting material employed in the production of specialized dyes and organic pigments

Organic Synthesis Building Block

A functionalized benzonitrile derivative used in academic and industrial research for the development of complex molecules featuring diaryl ether linkages.