3,6-Dibromochromone
Basic information
- CAS
115237-39-3- Standard SMILES
O=c1c(Br)coc2ccc(Br)cc12- InChIKey
XJSJGLRPSYOZLW-UHFFFAOYSA-N- Molecular formula
- C9H4Br2O2
- Average molar mass
- 303.93 g/mol
- Monoisotopic mass
- 301.8578
Names & identifiers
- Preferred name
- 3,6-Dibromochromone
- IUPAC
- 3,6-dibromochromen-4-one
- English name
- 3,6-dibromochromone
- Molecular formula
- C9H4Br2O2
- Molecular weight
- 303.93
Names & synonyms
3,6-dibromochromone115237-39-33,6-Dibromo-4H-chromen-4-one3,6-dibromochromen-4-oneMFCD026837853,6-Dibromochromone, AldrichCPRAKOS015908497SY4549854H-1-Benzopyran-4-one, 3,6-dibromo-JRH-00704, 3,6-Dibromo-4H-chromen-4-one, 97%
Database identifiers
- CAS
115237-39-3- PubChem CID
- 688706
- EC Number
- 109-262-1
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- HS Code
- 2932990090 · 2932990090
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2932990090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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