2,5-Dibromo-4-methylimidazole
Basic information
- CAS
219814-29-6- Standard SMILES
Cc1[nH]c(Br)nc1Br- InChIKey
RWHYUTSGEJYTMQ-UHFFFAOYSA-N- Molecular formula
- C4H4Br2N2
- Average molar mass
- 239.9 g/mol
- Monoisotopic mass
- 237.87412
Names & identifiers
- Preferred name
- 2,5-Dibromo-4-methylimidazole
- IUPAC
- 2,4-dibromo-5-methyl-1H-imidazole
- English name
- 2,5-Dibromo-4-methylimidazole
- Molecular formula
- C4H4Br2N2
- Molecular weight
- 239.9
Names & synonyms
2,5-Dibromo-4-methylimidazole219814-29-6DTXSID10347074RefChem:247285DTXCID402981462,4-Dibromo-5-methyl-1H-imidazole2,5-dibromo-4-methyl-1H-imidazoleC4H4Br2N2MFCD021795192,4-dibromo-5-methylimidazoleSCHEMBL3025834CS-D1567
Show more names
2,4-dibromo-5-methyl-3H-imidazole1H-Imidazole, 2,5-dibromo-4-methyl-1H-Imidazole, 2,4-dibromo-5-methyl-
Imidazole, 2,4-dibromo-5-methyl-MFCD18083749AMY12164SCHEMBL6727620MFCD1808374AKOS015835023AKOS015913759DS-0678
Database identifiers
- CAS
219814-29-6- PubChem CID
- 617665
- DTXSID
DTXSID10347074
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 88.1
Physicochemical properties
- Boiling point
- 343.1 · 343.1±34.0 °C(Predicted)
- Density
- 2.188 · 2.188±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 9.47 · 9.47±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- 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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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