Basic information
- CAS
2122-86-3- Standard SMILES
O=c1[nH]nc(-c2ccc([N+](=O)[O-])o2)o1- InChIKey
OWDANLZJJOCPBK-UHFFFAOYSA-N- Molecular formula
- C6H3N3O5
- Average molar mass
- 197.11 g/mol
- Monoisotopic mass
- 197.0072702
Names & identifiers
- Preferred name
- 5-(5-Nitro-2-furyl)-1,3,4-oxadiazole-2-ol
- IUPAC
- 5-(5-nitrofuran-2-yl)-3H-1,3,4-oxadiazol-2-one
- English name
- 5-(5-Nitro-2-furyl)-1,3,4-oxadiazol-2-one
- Molecular formula
- C6H3N3O5
- Molecular weight
- 197.11
Names & synonyms
2122-86-35-(5-Nitro-2-furyl)-1,3,4-oxadiazole-2-olDTXSID5020948NSC 25249BRN 0533794DTXCID10948AI3-521231,3,4-Oxadiazol-2(3H)-one, 5-(5-nitro-2-furanyl)-1,3,4-OXADIAZOLE-2-OL, 5-(5-NITRO-2-FURYL)-delta2-1,3,4-Oxadiazolin-5-one, 2-(5-nitro-2-furyl)-RefChem:300145delta2-1,3,4-Oxadiazolin-5-one, 2-(5-nitro-2-furyl)-(8CI)
Show more names
2-(5-NITRO-2-FURYL)-1,3,4-OXADIAZOL-2-IN-5-ONE
633-649-95-(5-nitrofuran-2-yl)-3H-1,3,4-oxadiazol-2-oneNSC252495-(5-Nitro-2-furyl)-1,3,4-oxadiazol-2(3H)-oneNSC-252495-(5-Nitrofuran-2-yl)-1,3,4-oxadiazol-2(3H)-one5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-ol5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZOL-2-ONE
Database identifiers
- CAS
2122-86-3- PubChem CID
- 16463
- DTXSID
DTXSID5020948- ChEMBL
CHEMBL259187- UNII
- JR2H6CR3KP
- EC Number
- 633-649-9
- Nikkaji
- J34.621G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
Collision Cross Section135.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5020948]
Physicochemical properties
- Boiling point
- 334.18 °C · 334.18°C (rough estimate)
- Density
- 1.7782 · 1.7782 (rough estimate)
- refractive index
- 1.66 · 1.6600 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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