3-Phenyl-5-vinyl-1,2,4-oxadiazole - CAS 28917-17-1
Catalog: |
BB058175 |
Product Name: |
3-Phenyl-5-vinyl-1,2,4-oxadiazole |
CAS: |
28917-17-1 |
Synonyms: |
5-Ethenyl-3-phenyl-1,2,4-oxadiazole |
IUPAC Name: | 5-ethenyl-3-phenyl-1,2,4-oxadiazole |
Description: | 3-Phenyl-5-vinyl-1,2,4-oxadiazole is a chemical reagent used in the synthesis of pharmaceutically active motifs. |
Molecular Weight: | 172.18 |
Molecular Formula: | C10H8N2O |
Canonical SMILES: | C=CC1=NC(=NO1)C2=CC=CC=C2 |
InChI: | InChI=1S/C10H8N2O/c1-2-9-11-10(12-13-9)8-6-4-3-5-7-8/h2-7H,1H2 |
InChI Key: | WSTDQQDNFXEASU-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Ethyl Acetate (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C, Inert atmosphere, Light sensitive |
References: | Burns, A. et al. Org. Biomol. Chem., 8, 2777 (2010); Catanese, B. et al. Exp. Mol. Path. Supp., 2, 28 (1963). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
BR-102012007749-A2 | 1, 2, 4-OXADIAZOES PROCEDURE THROUGH THE REACTION BETWEEN ARYLAMIDOXIMES AND GLYCEROL-derived METHYL ACRYLATE | 20120404 |
US-2011306597-A1 | Nicotinamide Derivatives | 20080618 |
DE-1954786-A1 | Smoking tobacco with added oxadiazole | 19681030 |
DE-1954786-B2 | Smoking tobacco with an oxadiazole derivative as an additive | 19681030 |
DE-1954786-C3 | Smoking tobacco with an oxadiazole derivative as an additive | 19681030 |
ES-372995-A1 | A PROCEDURE FOR PREPARING A TOBACCO FOR SMOKING. | 19681030 |
GB-1255340-A | Smoking tobacco | 19681030 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.063662883 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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