1-Bromo-2,5-diiodo-4-methylbenzene
Basic information
- CAS
123568-18-3- Standard SMILES
Cc1cc(I)c(Br)cc1I- InChIKey
WKYZAIIPNVLNLS-UHFFFAOYSA-N- Molecular formula
- C7H5BrI2
- Average molar mass
- 422.83 g/mol
- Monoisotopic mass
- 421.76641
Names & identifiers
- Preferred name
- 1-Bromo-2,5-diiodo-4-methylbenzene
- IUPAC
- 1-bromo-2,5-diiodo-4-methylbenzene
- English name
- 1-Methyl-4-bromo-2,5-diiodobenzene
- Molecular formula
- C7H5BrI2
- Molecular weight
- 422.83
Names & synonyms
1-bromo-2,5-diiodo-4-methylbenzene123568-18-3RefChem:430186662-176-0SCHEMBL19417353AKOS0244342211-Methyl-4-bromo-2,5-diiodobenzeneBenzene, 1-bromo-2,5-diiodo-4-methyl-
Database identifiers
- CAS
123568-18-3- PubChem CID
- 5096463
- EC Number
- 662-176-0
- Nikkaji
- J273.960G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 97 · 97-98 °C(Solv: ethanol (64-17-5))
- Boiling point
- 346.6 · 346.6±42.0 °C(Predicted)
- Density
- 2.546 · 2.546±0.06 g/cm3(Predicted)
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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