4-Bromo-5-(Bromomethylene)Furan-2(5H)-One
Basic information
- CAS
247167-54-0- Standard SMILES
O=C1C=C(Br)/C(=C/Br)O1- InChIKey
DPGLBHQUHFJRJS-RQOWECAXSA-N- Molecular formula
- C5H2Br2O2
- Average molar mass
- 253.88 g/mol
- Monoisotopic mass
- 251.84215
Names & identifiers
- Preferred name
- 4-Bromo-5-(Bromomethylene)Furan-2(5H)-One
- IUPAC
- (5Z)-4-bromo-5-(bromomethylidene)furan-2-one
- English name
- (Z-)-4-BroMo-5-(broMoMethylene)-2(5H)-furanone
- Molecular formula
- C5H2Br2O2
- Molecular weight
- 253.88
Names & synonyms
(5Z)-4-bromo-5-(bromomethylidene)furan-2-one4-Bromo-5-(bromomethylene)furan-2(5H)-oneRefChem:1070407Furanone C-30247167-54-02(5H)-Furanone, 4-bromo-5-(bromomethylene)-, (5Z)-Furanone C30(5z)-4-bromo-5-(bromomethylene)-2(5h)-furanoneMFCD16875408(Z)-4-bromo-5-(bromomethylene)furan-2(5H)-one(5Z)-4-bromo-5-(bromomethylidene)-2,5-dihydrofuran-2-one32323-47-0
Show more names
Flupyradifurone Impurity 35(Z-)-4-BROMO-5-(BROMOMETHYLENE)-2(5H(Z)-4-Bromo-5-(brommethylen)-2(5H)-furanone(5Z)-4-bromo-5-(bromomethylidene)-2，5-dihydrofuran-2-one(Z-)-4-Bromo-5-(bromomethylene)-2(5H)-furanone >=97.0% (GC)
(Z-)-4-Bromo-5-(bromomethylene)-2(5H)-furanone3,5-Dibromprotoanemoninorb3218240SCHEMBL1960492CHEMBL1253219DPGLBHQUHFJRJS-RQOWECAXSA-NAKOS037646413AS-68636
Database identifiers
- CAS
247167-54-0- PubChem CID
- 10131246
- ChEMBL
CHEMBL1253219- Nikkaji
- J1.943.741H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 97 · 97-99 °C
- Boiling point
- 205.9 · 205.9±40.0 °C(Predicted)
- Density
- 2.65 · 2.650±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to off-white
- BRN
- 120928 · 120928
- InChI
- 1S/C5H2Br2O2/c6-2-4-3(7)1-5(8)9-4/h1-2H/b4-2-
- InChIKey
- DPGLBHQUHFJRJS-RQOWECAXSA-N
- SMILES
- Br\C=C1/OC(=O)C=C1Br
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
UsesFuranone C-30 is a quorum sensing inhibitor. Furanone C-30 can effectively inhibit bacterial biofilm formation by S. mutans and its luxSmutant strain[1].
Suppliers
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Related reactions
2 records
Compound notes
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