6,8-Dibromo-3-formylchromone
Basic information
- CAS
42059-76-7- Standard SMILES
O=Cc1coc2c(Br)cc(Br)cc2c1=O- InChIKey
XTEURQCXJDIUCR-UHFFFAOYSA-N- Molecular formula
- C10H4Br2O3
- Average molar mass
- 331.94 g/mol
- Monoisotopic mass
- 329.85272
Names & identifiers
- Preferred name
- 6,8-Dibromo-3-formylchromone
- IUPAC
- 6,8-dibromo-4-oxochromene-3-carbaldehyde
- English name
- 6,8-Dibromo-3-formylchromone, 99%
- Molecular formula
- C10H4Br2O3
- Molecular weight
- 331.95
Names & synonyms
6,8-Dibromo-3-formylchromone42059-76-76,8-dibromo-4-oxochromene-3-carbaldehyde6,8-Dibromo-4-oxo-4H-1-benzopyran-3-carboxaldehydeDTXSID201229693RefChem:538740DTXCID601660924623-820-66,8-Dibromo-4-oxo-4H-chromene-3-carbaldehydeMFCD00191991CHEMBL832936,8-dibromo-4-oxo-chromene-3-carbaldehyde
Show more names
4H-1-Benzopyran-3-carboxaldehyde,6,8-dibromo-4-oxo-
C10H4Br2O36,8-Dibromo-4-oxo-4H-1-benzopyran-3-carbaldehydeFC11SCHEMBL5358403XTEURQCXJDIUCR-UHFFFAOYSA-NBDBM501310756,8-Dibromo-3-formylchromone, 99%AKOS015916434
Database identifiers
- CAS
42059-76-7- PubChem CID
- 688710
- DTXSID
DTXSID201229693- ChEMBL
CHEMBL83293- EC Number
- 623-820-6
- Nikkaji
- J1.687.650J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 174 · 174-176 °C(lit.)
- Boiling point
- 421.4 · 421.4±45.0 °C(Predicted)
- Density
- 2.154 · 2.154±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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