4-ethenyl-1H-pyrazole
Basic information
- CAS
61230-87-3- Standard SMILES
C=Cc1cn[nH]c1- InChIKey
UMRPGBHVNGOFMG-UHFFFAOYSA-N- Molecular formula
- C5H6N2
- Average molar mass
- 94.11 g/mol
- Monoisotopic mass
- 94.0530982
Names & identifiers
- Preferred name
- 4-ethenyl-1H-pyrazole
- IUPAC
- 4-ethenyl-1H-pyrazole
Names & synonyms
4-ethenyl-1H-pyrazole61230-87-3RefChem:522554961-832-64-vinylpyrazoleSCHEMBL1027245SCHEMBL3125786SCHEMBL3717547SCHEMBL9998552LCA23087EBC-346046EN300-388656
Database identifiers
- CAS
61230-87-3- PubChem CID
- 22280261
- EC Number
- 961-832-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 70.5
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, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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