7-bromo-1H,2H,3H-pyrazolo[1,5-a]imidazole
Basic information
- CAS
116248-33-0- Standard SMILES
Brc1cnn2c1NCC2- InChIKey
XXESRZTZFPKCDG-UHFFFAOYSA-N- Molecular formula
- C5H6BrN3
- Average molar mass
- 188.03 g/mol
- Monoisotopic mass
- 186.97451
Names & identifiers
- Preferred name
- 7-bromo-1H,2H,3H-pyrazolo[1,5-a]imidazole
- IUPAC
- 7-bromo-2,3-dihydro-1H-imidazo[2,1-e]pyrazole
Names & synonyms
7-BROMO-1H,2H,3H-PYRAZOLO[1,5-A]IMIDAZOLE7-bromo-1H,2H,3H-pyrazolo(1,5-a)imidazoleRefChem:545603825-274-6116248-33-07-bromo-2,3-dihydro-1h-imidazo[1,2-b]pyrazole1H-Imidazo[1,2-b]pyrazole, 7-bromo-2,3-dihydro-MFCD20486413SCHEMBL16729648DTXSID40420324REA24833AT11167
Show more names
SY495954DB-060865CS-0133118EN300-2449467-Bromo-2,5-dihydro-3H-imidazo[1,2-b]pyrazoleF620628
Database identifiers
- CAS
116248-33-0- PubChem CID
- 425894
- DTXSID
DTXSID40420324- EC Number
- 825-274-6
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 119
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)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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