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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 256572Generated: October 23, 2026

2-Bromo-1-(4-iodophenyl)ethanone

4-IODOPHENACYL BROMIDE · 2-broMo-1-(4-iodophenyl)ethan-1-one · NSC83522 · EOS-60634 · 4-Iodophenacylbromide97% · 2-bromo-4-iodobenzophenone · 2-bromo-4'-iodoacetophenone · 2-BROMO-1-(4-IODO-PHENYL)-ETHANONE

https://huagongshe.com/en/chemical/256572

2-Bromo-1-(4-iodophenyl)ethanone molecular structure

Identifiers & Physical Properties

CAS No.31827-94-8
Molecular formulaC8H6BrIO
Average molar mass324.94 g/mol
Monoisotopic mass323.86467491 g/mol
SMILESO=C(CBr)c1ccc(I)cc1
InChIKeyFSIBMLJFLPWMTD-UHFFFAOYSA-N
PubChem CID256572
DTXSIDDTXSID50292534

Chemical & Physical Properties

XLogP3
Topological polar surface area17.1
Hydrogen bond donors0
Hydrogen bond acceptors1
Rotatable bonds2
Heavy atoms11
Formal charge0
Complexity141
Melting point113.5 °C(Solv: ethanol, 95% (64-17-5))
Boiling point328.7±22.0 °C(Predicted)
Density2.080±0.06 g/cm3(Predicted)
Storage conditionsKeep in dark place,Inert atmosphere,2-8°C
Physical statecrystalline solid
ColorLight brown
SensitivityLachrymatory
InChIInChI=1S/C8H6BrIO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKeyFSIBMLJFLPWMTD-UHFFFAOYSA-N
SMILESC(=O)(C1=CC=C(I)C=C1)CBr
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H319
GHS precautionary statementsP305+P351+P338
Hazard symbolsC
Hazard NoteCorrosive/Lachrymatory/Keep Cold
Customs code2914790090

Safety & Regulations

Customs code2914790090
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsC
hazard_noteCorrosive/Lachrymatory/Keep Cold
GHS hazard statementsH302-H319
GHS precautionary statementsP305+P351+P338