3-Bromo-4-ethoxy-5-methoxybenzaldehyde
Basic information
- CAS
90109-65-2- Standard SMILES
CCOc1c(Br)cc(C=O)cc1OC- InChIKey
UYORHVZNGJVQCF-UHFFFAOYSA-N- Molecular formula
- C10H11BrO3
- Average molar mass
- 259.1 g/mol
- Monoisotopic mass
- 257.98916
Names & identifiers
- Preferred name
- 3-Bromo-4-ethoxy-5-methoxybenzaldehyde
- IUPAC
- 3-bromo-4-ethoxy-5-methoxybenzaldehyde
- English name
- 3-BROMO-4-ETHOXY-5-METHOXY-BENZALDEHYDE
- Molecular formula
- C10H11BrO3
- Molecular weight
- 259.1
Names & synonyms
3-bromo-4-ethoxy-5-methoxybenzaldehyde90109-65-2DTXSID40352691RefChem:277438DTXCID10303756MFCD022564953-bromo-4-ethoxy-5-methoxy-benzaldehydeSCHEMBL14835707UYORHVZNGJVQCF-UHFFFAOYSA-NALBB-001374BBL013981SBB015921
Show more names
Benzaldehyde, 3-bromo-4-ethoxy-5-methoxy-3-bromo-4-ethoxy-5-methoxybenzaldehyde(SALTDATA: FREE)
STK198708AKOS000267451VS-04086DB-028411CS-0116914ST45169188EN300-04975H21441
Database identifiers
- CAS
90109-65-2- PubChem CID
- 733086
- DTXSID
DTXSID40352691
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 327.6 · 327.6±37.0 °C(Predicted)
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C10H11BrO3/c1-3-14-10-8(11)4-7(6-12)5-9(10)13-2/h4-6H,3H2,1-2H3
- InChIKey
- UYORHVZNGJVQCF-UHFFFAOYSA-N
- SMILES
- Brc1c(c(cc(c1)C=O)OC)OCC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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