Basic information
- CAS
6939-12-4- Standard SMILES
C[n+]1cc([O-])on1- InChIKey
KUYNWZKDWRYCIH-UHFFFAOYSA-N- Molecular formula
- C3H4N2O2
- Average molar mass
- 100.08 g/mol
- Monoisotopic mass
- 100.02727738
Names & identifiers
- Preferred name
- 3-Methylsydnone
- IUPAC
- 3-methyloxadiazol-3-ium-5-olate
- English name
- 3-Methyl-5-oxylato-1,2,3-oxadiazole-3-ium
- Molecular formula
- C3H4N2O2
- Molecular weight
- 100.08
Names & synonyms
3-Methylsydnone6939-12-4RefChem:504361804-857-9Sydnone, 3-methyl-3-methyloxadiazol-3-ium-5-olate3-Methyl-1,2,3-oxadiazol-3-ium-5-olate3-Methylsydnone; N-MethylsydnoneNSC-567803-methyl-3H-1lambda4,2,3-oxadiazol-1-ylium-5-olate3-methyl-5-oxo-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide3-Methylsydnon
Show more names
3-Methylsydnone 95%3-Methyl-5-oxylato-1,2,3-oxadiazole-3-ium
MFCD25948959G8Q6VC88X4SCHEMBL2520671SCHEMBL3161408SCHEMBL8736900NSC56780STL337108AKOS022122092
Database identifiers
- CAS
6939-12-4- PubChem CID
- 522348
- UNII
- G8Q6VC88X4
- EC Number
- 804-857-9
- Nikkaji
- J434.106F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 68
Physicochemical properties
- Melting point
- 36 °C · 36 °C
- Boiling point
- 125 · 125-128 °C(Press: 0.12 Torr)
- form
- low melting solid
- color
- Yellow to dark yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- HS Code
- 2914390090 · 2914390090
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2914390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Suppliers5 total
Key Organics Ltd.[email protected]
COMBI-BLOCKS[email protected]
SYNQUEST[email protected]
MATRIX[email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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