2-Bromo-4-methyl-1H-imidazole
Basic information
- CAS
23328-88-3- Standard SMILES
Cc1cnc(Br)[nH]1- InChIKey
AYQISCMXBQVMSY-UHFFFAOYSA-N- Molecular formula
- C4H5BrN2
- Average molar mass
- 161 g/mol
- Monoisotopic mass
- 159.96361
Names & identifiers
- Preferred name
- 2-Bromo-4-methyl-1H-imidazole
- IUPAC
- 2-bromo-5-methyl-1H-imidazole
- English name
- 2-Bromo-4-methyl-1H-imidazole
- Molecular formula
- C4H5BrN2
- Molecular weight
- 161
Names & synonyms
2-BROMO-4-METHYL-1H-IMIDAZOLE23328-88-3DTXSID80428400RefChem:466591DTXCID10379234800-803-32-bromo-5-methyl-1H-imidazole2-bromo-4-methylimidazole1H-Imidazole, 2-bromo-5-methyl-MFCD066599041H-Imidazole, 2-bromo-4-methyl-2-bromo-4-methyl imidazole
Show more names
4-methyl-2-bromo-1H-imidazole
2-bromo-5-methyl-1H-imidazole-AKOS025394557PS-3523EN300-3189815methylbromoimidazoleSCHEMBL970070SCHEMBL2262531AKOS00634325
Database identifiers
- CAS
23328-88-3- PubChem CID
- 7204878
- DTXSID
DTXSID80428400- EC Number
- 800-803-3
- Nikkaji
- J1.610.670D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 66.7
Physicochemical properties
- Melting point
- 110 · 110-114
- Boiling point
- 280.7 · 280.7±33.0 °C(Predicted)
- Density
- 1.723 · 1.723±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- powder
- pka
- 11.66 · 11.66±0.10(Predicted)
- color
- Yellow
- InChI
- InChI=1S/C4H5BrN2/c1-3-2-6-4(5)7-3/h2H,1H3,(H,6,7)
- InChIKey
- AYQISCMXBQVMSY-UHFFFAOYSA-N
- SMILES
- C1(Br)NC(C)=CN=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- Xi
- Hazard Note
- Irritant
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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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