|
| | Benzoylacetonitrile Basic information |
| | Benzoylacetonitrile Chemical Properties |
| Melting point | 82-83 °C (lit.) | | Boiling point | 160 °C/10 mmHg (lit.) | | density | 1.1555 (rough estimate) | | refractive index | 1.4500 (estimate) | | Fp | 159-160°C/10mm | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) | | form | Solid | | pka | 7.78±0.10(Predicted) | | color | Yellow to Dark Beige | | Water Solubility | slightly soluble | | BRN | 386745 | | Exposure limits | NIOSH: IDLH 25 mg/m3 | | InChIKey | ZJRCIQAMTAINCB-UHFFFAOYSA-N | | CAS DataBase Reference | 614-16-4(CAS DataBase Reference) | | NIST Chemistry Reference | «alpha»-Cyanoacetophenone(614-16-4) | | EPA Substance Registry System | Benzenepropanenitrile, .beta.-oxo- (614-16-4) |
| Hazard Codes | Xn,Xi | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-36-36/37/39-22 | | RIDADR | 3276 | | WGK Germany | 3 | | Hazard Note | Harmful/Irritant | | TSCA | Yes | | HazardClass | IRRITANT | | PackingGroup | III | | HS Code | 29269090 |
| | Benzoylacetonitrile Usage And Synthesis |
| Chemical Properties | LIGHT YELLOW TO YELLOW-BROWN CRYSTALLINE POWDER | | Uses | Benzoylacetonitrile can be used as a building block for the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics
| | Uses | Benzoylacetonitrile is used to produce 2-benzoyl-3-furan-2-yl-acrylonitrile. It is also used in the synthesis of substituted naphtho[1,8-bc]pyrans and as building block in the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics. It is an active methylene compound, useful in heterocyclic synthesis, e.g. polyfunctional pyridines and pyrimidines. | | Definition | ChEBI: Benzoylacetonitrile is a beta-ketonitrile and an aromatic ketone. It is functionally related to a benzoic acid. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 54, p. 4229, 1989 DOI: 10.1021/jo00278a047
Synthesis, p. 308, 1983
Tetrahedron, 49, p. 5091, 1993 DOI: 10.1016/S0040-4020(01)81874-3 |
| | Benzoylacetonitrile Preparation Products And Raw materials |
|
