1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt
Basic information
- CAS
3815-80-3- Standard SMILES
COc1ccc(-[n+]2cc([O-])on2)cc1- InChIKey
MDXSZGJOBTZROY-UHFFFAOYSA-N- Molecular formula
- C9H8N2O3
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.05349212
Names & identifiers
- Preferred name
- 1,2,3-oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt
- IUPAC
- 3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate
- English name
- 3-(4-Methoxyphenyl)-1,2,3-oxadiazole-3-ium-5-olate
- Molecular formula
- C9H8N2O3
- Molecular weight
- 192.18
Names & synonyms
3815-80-3N-p-Anisylsydnone3-(4-Methoxyphenyl)sydnoneSydnone, 3-(4-methoxyphenyl)-NSC 38720N-(p-Methoxyphenyl)-sydnonN-(p-Methoxyphenyl)-sydnon [German]1,2,3-Oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner saltDTXSID801915411,2,3-Oxadiazolium, 5-hydroxy-3-(4-methoxyphenyl)-, inner salt (9CI)RefChem:71391DTXCID20114032
Show more names
3-(p-Anisyl)sydnone3-(4-Methoxylphenyl)sydnone3-(4-Methoxyphenyl)-1,2,3-oxadiazole-3-ium-5-olate3-(4-METHOXYPHENYL)-5-OXO-5H-1,2,3-OXADIAZOL-3-IUM-2-IDE3-(4-Methoxyphenyl)-3H-1,2,3-oxadiazol-1-ium-5-olate 90+%
Sydnone, 3-(4-methoxyphenyl)-(9CI)3-(p-Methoxyphenyl)sydnone3-(4-Methoxyphenyl)-3H-1,2,3-oxadiazol-1-ium-5-olate3-(4-methoxyphenyl)oxadiazol-3-ium-5-olateSydnone, 3-(p-methoxyphenyl)-3-(4-Methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olateG44G3T6RHESCHEMBL30204086
Database identifiers
- CAS
3815-80-3- PubChem CID
- 199183
- DTXSID
DTXSID80191541- UNII
- G44G3T6RHE
- EC Number
- 804-822-8
- Nikkaji
- J188.330E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- FDA UNII
- 44 G3T6RHE · G44G3T6RHE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- HS Code
- 2929900090 · 2929900090
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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 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
- hs_code
- 2929900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
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Related reactions
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Compound notes
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