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499757

Sigma-Aldrich

Phenoxyacetonitrile

98%

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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[1]
  • methylthio(phenoxy)acetonitrile[2]
  • 2,4-diamino-5-(3,4,5-trimethoxyphenoxy)pyrimidine[3]

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKBD6510
18203LB
07131JS

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Synthesis of trimethoprim variations. Replacement of methylene by polar groupings.
Stogryn EL.
Journal of Medicinal Chemistry, 15(2), 200-201 (1972)
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)
Chemistry of modified flavonoids.
Arkhipov VV, et al.
Chemistry of Heterocyclic Compounds, 33(5), 515-519 (1997)
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)

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