Basic information
- CAS
2461-83-8- Standard SMILES
O=C(CCC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1- InChIKey
VOJRFGKKQMVGPH-UHFFFAOYSA-N- Molecular formula
- C16H12Br2O2
- Average molar mass
- 396.07 g/mol
- Monoisotopic mass
- 393.9204
Names & identifiers
- Preferred name
- 1,4-Bis(4-bromophenyl)-1,4-butanedione
- IUPAC
- 1,4-bis(4-bromophenyl)butane-1,4-dione
- English name
- 1,4-Bis(4-bromophenyl)butane-1,4-dione
- Molecular formula
- C16H12Br2O2
- Molecular weight
- 396.07
Names & synonyms
2461-83-81,4-Bis(4-bromophenyl)-1,4-butanedioneDTXSID30276973RefChem:220184DTXCID702281331,4-bis(4-bromophenyl)butane-1,4-dione1,4-Butanedione, 1,4-bis(4-bromophenyl)-1,4-Butanedione,1,4-bis(4-bromophenyl)-NSC222SCHEMBL2416641, 1,4-bis(4-bromophenyl)-NSC-222
Show more names
AKOS005145825DS-0209231,4-Bis(4-bromophenyl)-1,4-butanedione #
Database identifiers
- CAS
2461-83-8- PubChem CID
- 219217
- DTXSID
DTXSID30276973- Nikkaji
- J143.948K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 182 °C · 182 °C(Solv: benzene (71-43-2))
- Boiling point
- 500.1 · 500.1±45.0 °C(Predicted)
- Density
- 1.611 · 1.611±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Dichloromethane, Methanol
- form
- Solid
- color
- White
Chemistry & industry
Applications
Uses1,4-Bis(4-bromophenyl)butane-1,4-dione is used in the preparation of Furamidine (F863600) an antimicrobial and antiparasitic agent.
Suppliers6 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
10 records
Compound notes
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