Basic information
- CAS
20041-64-9- Standard SMILES
CCOc1cc(Br)c(Br)c(C=O)c1O- InChIKey
MZAISYPWQNBWED-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O3
- Average molar mass
- 323.97 g/mol
- Monoisotopic mass
- 321.88402
Names & identifiers
- Preferred name
- 2,3-Dibromo-5-ethoxy-6-hydroxybenzaldehyde
- IUPAC
- 2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde
- English name
- 2,3-DIBROMO-5-ETHOXY-6-HYDROXYBENZALDEHYDE
- Molecular formula
- C9H8Br2O3
- Molecular weight
- 323.97
Names & synonyms
2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde20041-64-9DTXSID30355070RefChem:244485DTXCID003061303-ethoxy-5,6-dibromosalicylaldehydeIRE1-IN-VIII2,3-Dibromo-5-ethoxy-6-hydroxy-benzaldehydeOprea1_096731Oprea1_747860CBDivE_012842orb3175112
Show more names
AKOS BB-7665ASISCHEM B653155,6-Dibromo-o-bourbonalBenzaldehyde, 2,3-dibromo-5-ethoxy-6-hydroxy-3-Ethoxy-5,6-dibromosalicylaldehyde >=95% (HPLC)
SCHEMBL3609245GLXC-03864BBL000201MFCD00297095NSC750187STK077205AKOS000108207NSC 750187
Database identifiers
- CAS
20041-64-9- PubChem CID
- 790680
- DTXSID
DTXSID30355070- EC Number
- 694-505-9
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 200
Physicochemical properties
- Boiling point
- 336 · 336.0±37.0 °C(Predicted)
- Density
- 1.879 · 1.879±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 15 mg/mL · DMSO: ≥15mg/mL
- form
- powder
- pka
- 6.79 · 6.79±0.28(Predicted)
- color
- yellow
- InChI
- 1S/C9H8Br2O3/c1-2-14-7-3-6(10)8(11)5(4-12)9(7)13/h3-4,13H,2H2,1H3
- InChIKey
- MZAISYPWQNBWED-UHFFFAOYSA-N
- SMILES
- CCOc1cc(Br)c(Br)c(C=O)c1O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P280-P301+P312+P330-P302+P352
Chemistry & industry
Applications
Uses3-Ethoxy-5,6-dibromosalicylaldehyde was used to study modulation of autophagy, JNK activation and NF-KB-mediated inflammation.
Suppliers1 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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