Basic information
- CAS
20035-44-3- Standard SMILES
CCOc1cc(Br)cc(C=O)c1O- InChIKey
VXBLUCOQXWXUBJ-UHFFFAOYSA-N- Molecular formula
- C9H9BrO3
- Average molar mass
- 245.07 g/mol
- Monoisotopic mass
- 243.97351
Names & identifiers
- Preferred name
- 5-Bromo-3-ethoxy-2-hydroxybenzaldehyde
- IUPAC
- 5-bromo-3-ethoxy-2-hydroxybenzaldehyde
- English name
- 5-Bromo-3-ethoxy-2-hydroxybenzaldehyde
- Molecular formula
- C9H9BrO3
- Molecular weight
- 245.07
Names & synonyms
5-bromo-3-ethoxy-2-hydroxybenzaldehyde20035-44-3RefChem:301778benzaldehyde, 5-bromo-3-ethoxy-2-hydroxy-5-bromo-3-ethoxy-2-hydroxy-benzaldehyde3-ethoxy-5-bromo-2-hydroxy-benzaldehydeCambridge id 5249942Oprea1_703699CBDivE_013050SCHEMBL1620544VXBLUCOQXWXUBJ-UHFFFAOYSA-NDTXSID001282061
Show more names
AKOS BBS-000047965-bromo-3-ethoxy-2-hydroxybenzaldehyde(SALTDATA: FREE)
BBL023142MFCD00579044SBB041186STK029302AKOS000269592UPCMLD0ENAT5955251:001VS-07337DB-315371
Database identifiers
- CAS
20035-44-3- PubChem CID
- 790681
- DTXSID
DTXSID001282061- EC Number
- 885-590-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 94 °C · 94 °C
- Boiling point
- 292.4 · 292.4±35.0 °C(Predicted)
- Density
- 1.568 · 1.568±0.06 g/cm3(Predicted)
- pka
- 7.75 · 7.75±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
6 records
Compound notes
Loading…