Basic information
- CAS
1504936-04-2- Standard SMILES
Cn1cc(Br)c(I)n1- InChIKey
GTKBPHHQPCLNAL-UHFFFAOYSA-N- Molecular formula
- C4H4BrIN2
- Average molar mass
- 286.9 g/mol
- Monoisotopic mass
- 285.86026
Names & identifiers
- Preferred name
- 4-bromo-3-iodo-1-methyl-1H-pyrazole
- IUPAC
- 4-bromo-3-iodo-1-methylpyrazole
Names & synonyms
4-bromo-3-iodo-1-methyl-1H-pyrazole1504936-04-2RefChem:519967843-123-24-bromo-3-iodo-1-methylpyrazoleSCHEMBL173822614-bromo-3-iodo-1-methyl-pyrazoleEKC93604AKOS018341051CS-0239570EN300-215453
Database identifiers
- CAS
1504936-04-2- PubChem CID
- 79782831
- EC Number
- 843-123-2
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 90.1
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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