3,8-dibromo-6,7-dihydroxy-4-methyl-2H-chromen-2-one
Basic information
- CAS
98949-03-2- Standard SMILES
Cc1c(Br)c(=O)oc2c(Br)c(O)c(O)cc12- InChIKey
ZIDMZBIYZNIQPJ-UHFFFAOYSA-N- Molecular formula
- C10H6Br2O4
- Average molar mass
- 349.96 g/mol
- Monoisotopic mass
- 347.86328
Names & identifiers
- Preferred name
- 3,8-dibromo-6,7-dihydroxy-4-methyl-2H-chromen-2-one
- IUPAC
- 3,8-dibromo-6,7-dihydroxy-4-methylchromen-2-one
- English name
- 3,8-dibromo-6,7-dihydroxy-4-methyl-2H-chromen-2-one
- Molecular formula
- C10H6Br2O4
- Molecular weight
- 349.96
Names & synonyms
3,8-dibromo-6,7-dihydroxy-4-methyl-2H-chromen-2-one98949-03-23,8-dibromo-6,7-dihydroxy-4-methylchromen-2-oneMLS000704457SMR0002308412H-1-Benzopyran-2-one, 3,8-dibromo-6,7-dihydroxy-4-methyl-Oprea1_843607C10H6Br2O4CHEMBL272465SCHEMBL13479651BDBM58991cid_5407779
Show more names
3,8-Dibrom-6,7-dihydroxy-4-methyl-cumarin
DTXSID20419913HMS2525D07MFCD00514044AKOS0160284353,8-dibromo-6,7-dihydroxy-4-methyl-coumarinAG-690/33347034SR-0100019570110X-0362
Database identifiers
- CAS
98949-03-2- PubChem CID
- 5407779
- DTXSID
DTXSID20419913- ChEMBL
CHEMBL272465
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 492.8 · 492.8±45.0 °C(Predicted)
- Density
- 2.18 · 2.180±0.06 g/cm3(Predicted)
- pka
- 5.72 · 5.72±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…