1H-Pyrazole, 3,4,5-tribromo-1-(2-propen-1-yl)-
Basic information
- CAS
13369-77-2- Standard SMILES
C=CCn1nc(Br)c(Br)c1Br- InChIKey
NITNUVUFMWIPFK-UHFFFAOYSA-N- Molecular formula
- C6H5Br3N2
- Average molar mass
- 344.83 g/mol
- Monoisotopic mass
- 341.80029
Names & identifiers
- Preferred name
- 1H-Pyrazole, 3,4,5-tribromo-1-(2-propen-1-yl)-
- IUPAC
- 3,4,5-tribromo-1-prop-2-enylpyrazole
Names & synonyms
13369-77-21-ALLYL-3,4,5-TRIBROMOPYRAZOLEDTXSID0012501431H-Pyrazole, 3,4,5-tribromo-1-(2-propen-1-yl)-RefChem:438930DTXCID201680950666-240-91-Allyl-3,4,5-tribromo-1H-pyrazoleAKOS0243241913,4,5-Tribromo-1-(prop-2-en-1-yl)-1H-pyrazole
Database identifiers
- CAS
13369-77-2- PubChem CID
- 4159577
- DTXSID
DTXSID001250143- EC Number
- 666-240-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Compound notes
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