Basic information
- CAS
597545-04-5- Standard SMILES
CCOc1cc(C=O)c(Br)c(Cl)c1O- InChIKey
MVMATNKFDAXVDH-UHFFFAOYSA-N- Molecular formula
- C9H8BrClO3
- Average molar mass
- 279.51 g/mol
- Monoisotopic mass
- 277.93453
Names & identifiers
- Preferred name
- 2-Bromo-3-chloro-5-ethoxy-4-hydroxybenzaldehyde
- IUPAC
- 2-bromo-3-chloro-5-ethoxy-4-hydroxybenzaldehyde
- English name
- CHEMBRDG-BB 6484056
- Molecular formula
- C9H8BrClO3
- Molecular weight
- 279.52
Names & synonyms
2-bromo-3-chloro-5-ethoxy-4-hydroxybenzaldehyde597545-04-5DTXSID10358261MFCD03923602STK201369AKOS000113799BS-38249DB-202982CS-01187192-bromo-3-chloro-5-ethoxy-4-hydroxy-benzaldehydeSR-01000235644SR-01000235644-1
Show more names
CHEMBRDG-BB 6484056Benzaldehyde, 2-bromo-3-chloro-5-ethoxy-4-hydroxy-2-bromo-3-chloro-5-ethoxy-4-hydroxybenzaldehyde(SALTDATA: FREE)
Database identifiers
- CAS
597545-04-5- PubChem CID
- 883186
- DTXSID
DTXSID10358261
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 347.5 · 347.5±37.0 °C(Predicted)
- Density
- 1.662 · 1.662±0.06 g/cm3(Predicted)
- pka
- 5.5 · 5.50±0.28(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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