2-Amino-5-(2-chlorophenyl)-1,3,4-oxadiazole - CAS 2138-98-9
Catalog: |
BB016813 |
Product Name: |
2-Amino-5-(2-chlorophenyl)-1,3,4-oxadiazole |
CAS: |
2138-98-9 |
Synonyms: |
5-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine |
IUPAC Name: | 5-(2-chlorophenyl)-1,3,4-oxadiazol-2-amine |
Description: | 5-(2-Chlorophenyl)-1,3,4-Oxadiazol-2-Amine was used as a reactant in the synthesis of 3-(1,3,4-oxadiazol-2-yl)quinazolin-4(3H)-ones which was studied for their antimicrobial activity against various bacteria and fungi. |
Molecular Weight: | 195.61 |
Molecular Formula: | C8H6ClN3O |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NN=C(O2)N)Cl |
InChI: | InChI=1S/C8H6ClN3O/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7/h1-4H,(H2,10,12) |
InChI Key: | VVKFAXPORKOLTL-UHFFFAOYSA-N |
Boiling Point: | 358.3 °C at 760 mmHg |
Melting Point: | 165-169 °C |
Purity: | 98 % |
Density: | 1.415 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD00469199 |
LogP: | 2.55340 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-106478743-B | One kind base Mannich base of oxadiazoles containing ferrocenyl and preparation method thereof | 20160929 |
US-10240084-B2 | Non-crystallizable pi-conjugated molecular glass mixtures, charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications | 20140325 |
US-2015275076-A1 | Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications | 20140325 |
EP-3039487-A1 | Molecular glass mixtures for organic electronics applications | 20130825 |
KR-20160048863-A | Molecular glass mixtures for organic electronics applications | 20130825 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0199395 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0199395 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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