2,5-Furandione, 3,4-dibromo-
Basic information
- CAS
1122-12-9- Standard SMILES
O=C1OC(=O)C(Br)=C1Br- InChIKey
GEKJEMDSKURVLI-UHFFFAOYSA-N- Molecular formula
- C4Br2O3
- Average molar mass
- 255.85 g/mol
- Monoisotopic mass
- 253.82141806
Names & identifiers
- Preferred name
- 2,5-Furandione, 3,4-dibromo-
- IUPAC
- 3,4-dibromofuran-2,5-dione
- English name
- DIBROMOMALEIC ANHYDRIDE
- Molecular formula
- C4Br2O3
- Molecular weight
- 255.85
Names & synonyms
3,4-dibromofuran-2,5-dione1122-12-9Dibromomaleic anhydride2,3-Dibromomaleic anhydride2,5-Furandione, 3,4-dibromo-Maleic anhydride, dibromo-3,4-Dibromo-2,5-furandioneXW333X45EMNSC 94974NSC-94974DTXSID6061525RefChem:444686
Show more names
3,4-dibromofuran-2,5-quinone
DTXCID7033280663-186-8InChI=1/C4Br2O3/c5-1-2(6)4(8)9-3(1)C4Br2O3MFCD000306732, 3,4-dibromo-NCIOpen2_006292UNII-XW333X45EM
Database identifiers
- CAS
1122-12-9- PubChem CID
- 70727
- DTXSID
DTXSID6061525- UNII
- XW333X45EM
- EC Number
- 663-186-8
- Nikkaji
- J3.007.488B、J375.148A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 118 · 118-119 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 117 · 117-127 °C(Press: 19 Torr)
- Density
- 2.819 · 2.819±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Brown to reddish brown Solid
- FDA UNII
- 333 X45EM · XW333X45EM
- EPA Substance Registry System
- 2 · 2,5-Furandione, 3,4-dibromo- (1122-12-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
- HS Code
- 2932190090 · 2932190090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5-Furandione, 3,4-dibromo-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
3 records
Compound notes
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