2,4,5-Tribromo-1-propyl-1H-imidazole
Basic information
- CAS
31250-78-9- Standard SMILES
CCCn1c(Br)nc(Br)c1Br- InChIKey
CLJXQVVLSZWGJO-UHFFFAOYSA-N- Molecular formula
- C6H7Br3N2
- Average molar mass
- 346.85 g/mol
- Monoisotopic mass
- 343.81594
Names & identifiers
- Preferred name
- 2,4,5-Tribromo-1-propyl-1H-imidazole
- IUPAC
- 2,4,5-tribromo-1-propylimidazole
- English name
- 2,4,5-tribroMo-1-propyl-1H-iMidazole
- Molecular formula
- C6H7Br3N2
- Molecular weight
- 346.85
Names & synonyms
2,4,5-Tribromo-1-propyl-1H-imidazole31250-78-92,4,5-tribromo-1-propylimidazole1H-Imidazole, 2,4,5-tribromo-1-propyl-2,4,5-tribromo-1-propyl-imidazoleMFCD22690765Imidazole, 2,4,5-tribromo-1-propyl-DTXSID10953316CS2511AKOS024462415CS-0450862F462427
Database identifiers
- CAS
31250-78-9- PubChem CID
- 35763
- DTXSID
DTXSID10953316- Nikkaji
- J1.615.957C
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 133
Physicochemical properties
- Boiling point
- 376.2 · 376.2±45.0 °C(Predicted)
- Density
- 2.26 · 2.26±0.1 g/cm3(Predicted)
- pka
- -0.72 · -0.72±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2933299090 · 2933299090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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