| Identification | More | [Name]
PHENOXYACETONITRILE | [CAS]
3598-14-9 | [Synonyms]
2-PHENOXYACETONITRILE
PHENOXYACETONITRILE
Phenoxyacetonirile
Phenoxyacetonitrile,98% | [Molecular Formula]
C8H7NO | [MDL Number]
MFCD00052017 | [Molecular Weight]
133.15 | [MOL File]
3598-14-9.mol |
| Chemical Properties | Back Directory | [Appearance]
clear light yellow-brown liquid | [Boiling point ]
235-238 °C(lit.) | [density ]
1.09 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.524(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
2-8°C | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [BRN ]
2206192 | [InChI]
1S/C8H7NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2 | [InChIKey]
VLLSCJFPVSQXDM-UHFFFAOYSA-N | [SMILES]
N#CCOc1ccccc1 | [CAS DataBase Reference]
3598-14-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36:Wear suitable protective clothing . | [RIDADR ]
3276 | [WGK Germany ]
3
| [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
clear light yellow-brown liquid | [Uses]
Phenoxyacetonitrile may be used in the synthesis of:
- 2,4-dihydroxyphenoxyacetophenones
- methylthio(phenoxy)acetonitrile
- 2,4-diamino-5-(3,4,5-trimethoxyphenoxy)pyrimidine
| [Uses]
Phenoxyacetonitrile is a building block that has been used as a reactant for the preparation of [[(oxo)pyridazinyl]phenoxy]acetonitrile derivatives to be used as vasodilators. | [References]
[1] M. HAMANA T. H Y Fujimura. Reactions of quinoline and 4-chloroquinoline 1-oxides with phenoxyacetonitrile, chloromethylphenylsulfone, and methyl-thiomethyl-p-tolylsulfone[J]. Heterocycles, 1987, 25 1: 229-233. DOI:10.3987/S-1987-01-0229.
[2] A. Jonczyk* Essa H M. A SIMPLE PROCEDURE FOR THE PREPARATION OF (METHYL- AND PHENYLTHIO)ARYLOXYACETONITRILES[J]. Organic Preparations and Procedures International, 1993, 25 1: 690-693. DOI:10.1080/00304949309356267.
[3] STOGRYN E L. Synthesis of trimethoprim variations. Replacement of methylene by polar groupings[J]. Journal of Medicinal Chemistry, 1972, 15 2: 200-201. DOI:10.1021/jm00272a019. |
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