Basic information
- CAS
38736-16-2- Standard SMILES
COc1ccc(-c2nnc(-c3cccc4ccccc34)o2)cc1- InChIKey
COEYQIOPXLXUKH-UHFFFAOYSA-N- Molecular formula
- C19H14N2O2
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.10552769
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-5-(1-naphthyl)-1,3,4-oxadiazole
- IUPAC
- 2-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole
- English name
- 2-(4-methoxyphenyl)-5-(1-naphthyl)-1,3,4-oxadiazole
- Molecular formula
- C19H14N2O2
- Molecular weight
- 302.33
Names & synonyms
38736-16-22-(4-Methoxyphenyl)-5-(1-naphthyl)-1,3,4-oxadiazoleEINECS 254-112-1DTXSID50192025NSC 90381RefChem:457960DTXCID60114516254-112-12-(4-methoxyphenyl)-5-(naphthalen-1-yl)-1,3,4-oxadiazole2-(4-methoxyphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazoleNSC90381NCIOpen2_009892
Show more names
2-(4-Methoxyphenyl)-5-(1-naphtyl)-1,3,4-oxadiazole1,3,4-Oxadiazole, 2-(4-methoxyphenyl)-5-(1-naphthalenyl)-
COEYQIOPXLXUKH-UHFFFAOYSA-NNSC-90381AKOS024323105NS000304522-(4-Methoxyphenyl)-5-(1-naphthyl)-1,3,4-oxadiazol
Database identifiers
- CAS
38736-16-2- PubChem CID
- 96847
- DTXSID
DTXSID50192025- EC Number
- 254-112-1
- Nikkaji
- J319.836G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
Experimental & physicochemical properties
SpringerMaterials PropertiesLuminescence
Physicochemical properties
- Boiling point
- 501.9 · 501.9±52.0 °C(Predicted)
- Density
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- pka
- -4.54 · -4.54±0.39(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H315-H335-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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