499757
Phenoxyacetonitrile
98%
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About This Item
Linear Formula:
C6H5OCH2CN
CAS Number:
Molecular Weight:
133.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C8H7NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
SMILES string
N#CCOc1ccccc1
InChI key
VLLSCJFPVSQXDM-UHFFFAOYSA-N
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
Application
Phenoxyacetonitrile may be used in the synthesis of:
- 2,4-dihydroxyphenoxyacetophenones
- methylthio(phenoxy)acetonitrile
- 2,4-diamino-5-(3,4,5-trimethoxyphenoxy)pyrimidine
signalword
Warning
hcodes
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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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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