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499757

Phenoxyacetonitrile

98%

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About This Item

Linear Formula:
C6H5OCH2CN
CAS Number:
3598-14-9
Molecular Weight:
133.15
NACRES:
NA.22
PubChem Substance ID:
24873297
UNSPSC Code:
12352100
MDL number:
MFCD00052017
Assay:
98%
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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

signalword

Warning

Hazard Classifications

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

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, multi-purpose combination respirator cartridge (US)

Regulatory Information

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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)
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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Global Trade Item Number

SKUGTIN
499757-5ML04061836827212