2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde
Basic information
- CAS
2973-75-3- Standard SMILES
COc1cc(C=O)c(Br)c(Br)c1O- InChIKey
WKLKGSHBXNPUDU-UHFFFAOYSA-N- Molecular formula
- C8H6Br2O3
- Average molar mass
- 309.94 g/mol
- Monoisotopic mass
- 307.86837
Names & identifiers
- Preferred name
- 2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde
- IUPAC
- 2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
- English name
- 2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde
- Molecular formula
- C8H6Br2O3
- Molecular weight
- 309.94
Names & synonyms
2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde2973-75-35,6-DibromovanillinDTXSID40334356RefChem:81558DTXCID50285446WKLKGSHBXNPUDU-UHFFFAOYSA-NMFCD00016978Benzaldehyde, 2,3-dibromo-4-hydroxy-5-methoxy-5,6-Dibromovanilline2,3-Dibromovanillin.CHEMBL447087
Show more names
SCHEMBL1646879AKOS B004173BBL023238STK038595AKOS000113483AT41984FD70627AS-67189
Database identifiers
- CAS
2973-75-3- PubChem CID
- 520452
- DTXSID
DTXSID40334356- ChEMBL
CHEMBL447087- EC Number
- 681-691-1
- Nikkaji
- J265.497K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 212 · 212-215 °C
- Density
- 1.9544 · 1.9544 (rough estimate)
- refractive index
- 1.4947 · 1.4947 (estimate)
- Sensitive
- Air Sensitive
- BRN
- 1968576 · 1968576
- CAS DataBase Reference
- 2973 · 2973-75-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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