Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

499757

Sigma-Aldrich

Phenoxyacetonitrile

98%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
C6H5OCH2CN
CAS Number:
3598-14-9
Molecular Weight:
133.15
MDL number:
MFCD00052017
UNSPSC Code:
12352100
PubChem Substance ID:
24873297
NACRES:
NA.22

Assay

98%

refractive index

n20/D 1.524 (lit.)

bp

235-238 °C (lit.)

density

1.09 g/mL at 25 °C (lit.)

functional group

nitrile
phenoxy

SMILES string

N#CCOc1ccccc1

InChI

1S/C8H7NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2

InChI key

VLLSCJFPVSQXDM-UHFFFAOYSA-N

Application

Phenoxyacetonitrile may be used in the synthesis of:
  • 2,4-dihydroxyphenoxyacetophenones
  • methylthio(phenoxy)acetonitrile
  • 2,4-diamino-5-(3,4,5-trimethoxyphenoxy)pyrimidine

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKBD6510
18203LB
07131JS

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Chemistry of modified flavonoids.
Arkhipov VV, et al.
Chemistry of Heterocyclic Compounds, 33(5), 515-519 (1997)
A Simple Procedure for the Preparation of (Methyl-and Phenylthio) aryloxyacetonitriles.
Jonczyk A and Muttar EH
Organic preparations and procedures international, 25(6), 690-693 (1993)
Synthesis of trimethoprim variations. Replacement of methylene by polar groupings.
Stogryn EL.
Journal of Medicinal Chemistry, 15(2), 200-201 (1972)
Reactions of quinoline and 4-chloroquinoline 1-oxides with phenoxyacetonitrile, chloromethylphenylsulfone, and methyl-thiomethyl-p-tolylsulfone.
Hamana M, et al.
Heterocycles, 25, 229-233 (1987)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service