2,4-Dibromo-1-methyl-1H-imidazole
Basic information
- CAS
53857-60-6- Standard SMILES
Cn1cc(Br)nc1Br- InChIKey
LDZBHYJUCHWPIT-UHFFFAOYSA-N- Molecular formula
- C4H4Br2N2
- Average molar mass
- 239.9 g/mol
- Monoisotopic mass
- 237.87412
Names & identifiers
- Preferred name
- 2,4-Dibromo-1-methyl-1H-imidazole
- IUPAC
- 2,4-dibromo-1-methylimidazole
- English name
- 2,4-DIBROMO-1-METHYL-1H-IMIDAZOLE
- Molecular formula
- C4H4Br2N2
- Molecular weight
- 239.9
Names & synonyms
2,4-Dibromo-1-methyl-1H-imidazole53857-60-6DTXSID00428402RefChem:246129DTXCID30379236801-511-92,4-dibromo-1-methylimidazoleMFCD066599061H-Imidazole, 2,4-dibromo-1-methyl-SCHEMBL4912537AKOS015834935AB26596
Show more names
2,4-Dibromo-1-methyl-1H-imidazole 98%
PS-3538EN300-374078P103902,4-Dibromo-1-methyl-imidazoleAMY37387CS-W000122FD155731SY035697
Database identifiers
- CAS
53857-60-6- PubChem CID
- 7204880
- DTXSID
DTXSID00428402- EC Number
- 801-511-9
Properties
Computed structural properties
- XLogP
- 1.2
- 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
- 88.1
Physicochemical properties
- Melting point
- 74 · 74-76
- Boiling point
- 302.3 · 302.3±34.0 °C(Predicted)
- Density
- 2.22 · 2.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- 1.03 · 1.03±0.60(Predicted)
- form
- solid
- color
- Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant/Keep Cold
- 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.
GHS classification
GHS Classification
Warning
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Safety data
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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