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

HCID 256572CAS 31827-94-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CBr)c1ccc(I)cc1
InChIKey
FSIBMLJFLPWMTD-UHFFFAOYSA-N
Molecular formula
C8H6BrIO
Average molar mass
324.94 g/mol
Monoisotopic mass
323.86467491

Names & identifiers

Preferred name
2-Bromo-1-(4-iodophenyl)ethanone
IUPAC
2-bromo-1-(4-iodophenyl)ethanone
English name
2-Bromo-4'-iodoacetophenone
Molecular formula
C8H6BrIO
Molecular weight
324.94

Names & synonyms

2-Bromo-1-(4-iodophenyl)ethanone31827-94-82-Bromo-4'-iodoacetophenone4-Iodophenacyl bromideMFCD013605212-Bromo-1-(4-iodophenyl)ethan-1-oneAcetophenone, 2-bromo-4'-iodo-NCIOpen2_009036DTXSID50292534AC1539CS-0186567Ethanone, 2-bromo-1-(4-iodophenyl)-
Show more names
EOS-606344-Iodophenacylbromide97%2-bromo-4-iodobenzophenone2-bromo-4′-iodoacetophenone, CAS 31827-94-8
p-JodphenacylbromidNSC835222-bromo-1-(4-iodo-phenyl)-ethanoneA821015SCHEMBL1918792-bromo-4'-iodo acetophenoneNSC-835222-Bromo-1-(4-iodophenyl)ethanone #

Database identifiers

CAS
31827-94-8
PubChem CID
256572
DTXSID
DTXSID50292534
Nikkaji
J1.397.439J

Properties

Computed structural properties

XLogP
3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
113.5 °C · 113.5 °C(Solv: ethanol, 95% (64-17-5))
Boiling point
328.7 · 328.7±22.0 °C(Predicted)
Density
2.08 · 2.080±0.06 g/cm3(Predicted)
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C
form
crystalline solid
color
Light brown

Safety & regulation

Safety data

hs_code
2914790090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
C
hazard_note
Corrosive/Lachrymatory/Keep Cold
Hazard statements
H302-H319

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers50 total

宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

Related reactions

24 records
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Linked notes

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