Basic information
- CAS
4049-39-2- Standard SMILES
O=Cc1ccc(OCc2ccccc2)c(O)c1- InChIKey
HUNGEAFDVLSPAM-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Names & identifiers
- Preferred name
- 4-Benzyloxy-3-hydroxybenzaldehyde
- IUPAC
- 3-hydroxy-4-phenylmethoxybenzaldehyde
- English name
- 3-HYDROXY-4-BENZYLOXY BENZALDEHYDE
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
4049-39-24-Benzyloxy-3-hydroxybenzaldehydeRefChem:10703684-(Benzyloxy)-3-hydroxybenzaldehyde3-Hydroxy-4-benzyloxy benzaldehyde3-hydroxy-4-phenylmethoxybenzaldehydeMFCD038408123-Hydroxy-4-(phenylmethoxy)benzaldehyde4-Benzloxy-3-hydroxybenzaldehyde4-benzyloxy-3-hydroxy-benzaldehyde3-Hydroxy-4-(benzyloxy)-benzaldehydeProtocatechuic Aldehyde-4-benzyl Ether
Show more names
4-BENZLOXY-3-HYDROXYBENZALDEHYLE4-HYDROXY-4-BENZYLOXYBENZALDEHYDE4-hydroxy-4-phenylmethoxy-1-cyclohexa-1,5-dienecarboxaldehyde
3-Hydroxy-4-benzyloxybenzaldehyde3-Hydroxy-4-(phenylmethoxy)benzaldehyde; 3-Hydroxy-4-benzyloxybenzaldehyde; Protocatechuic Aldehyde-4-benzyl Ether3-Hydroxy-4-(benzyloxy)benzaldehydeBenzaldehyde, 3-hydroxy-4-(phenylmethoxy)-SCHEMBL11808204-benzoxy-3-hydroxybenzaldehydeDTXSID70340081AKOS005067765
Database identifiers
- CAS
4049-39-2- PubChem CID
- 561369
- DTXSID
DTXSID70340081- Nikkaji
- J474.477B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 120 °C · 120 °C(Solv: ethanol (64-17-5))
- Boiling point
- 403.3 · 403.3±30.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.79 · 8.79±0.35(Predicted)
- color
- Off-White to Light Brown
- InChI
- InChI=1S/C14H12O3/c15-9-12-6-7-14(13(16)8-12)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2
- InChIKey
- HUNGEAFDVLSPAM-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(OCC2=CC=CC=C2)C(O)=C1
- CAS DataBase Reference
- 4049 · 4049-39-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P261-P280-P305+P351+P338-P304+P340
Chemistry & industry
Applications
Uses4-Benzyloxy-3-hydroxybenzaldehyde is useful for preparing quinazoline derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers42 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
40 records
Compound notes
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