Basic information
- CAS
14697-49-5- Standard SMILES
O=Cc1ccc(OCC2CO2)cc1- InChIKey
VAKABUBSGYOQIM-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- 4-(2,3-Epoxypropoxy)benzaldehyde
- IUPAC
- 4-(oxiran-2-ylmethoxy)benzaldehyde
- English name
- 4-Oxiranylmethoxy-benzaldehyde
- Molecular formula
- C10H10O3
- Molecular weight
- 178.18
Names & synonyms
14697-49-54-(2,3-Epoxypropoxy)benzaldehyde4-(oxiran-2-ylmethoxy)benzaldehyde4-[(oxiran-2-yl)methoxy]benzaldehydeCHEMBL573060MFCD002783924-oxiranylmethoxy-benzaldehydep-(2,3-Epoxypropoxy)-benzaldehyde; 4-(2,3-Epoxypropoxy)benzaldehydep-(Glycidyloxy)benzaldehyde4-glycidoxy benzaldehydep-GlycidyloxybenzaldehydeSCHEMBL3466095VAKABUBSGYOQIM-UHFFFAOYSA-N
Show more names
Bisoprolol ImpurityBisoprolol Impurity 4Bisoprolol Impurity 31p-(2,3-Epoxypropoxy)benzaldehyde4-(2-oxiranylmethoxy)Benzaldehyde4-(2,3-epoxy)propyloxybenzaldehydeBenzaldehyde, 4-(2-oxiranylmethoxy)-
4-(oxiran-2-ylmethoxy)benzalde-hydeBDBM50378354SBB089396DA-19790G61776
Database identifiers
- CAS
14697-49-5- PubChem CID
- 2736334
- ChEMBL
CHEMBL573060- Nikkaji
- J875.349K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 37 °C · 37 °C
- Boiling point
- 109 · 109-110 °C(Press: 0.05 Torr)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Low-Melting Solid
- color
- White to Off-White
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- HS Code
- 2912490090 · 2912490090
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
- hs_code
- 2912490090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08
- Hazard statements
- H318-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Applications
Uses4-(2,3-Epoxypropoxy)benzaldehyde is an intermediate in the synthesis of 4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzaldehyde (H946735), which is a metoprolol impurity.
Suppliers35 total
天津始加生物医药科技有限公司15022261580 · [email protected]
上海策嵘生物科技有限公司[email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
13 records
Compound notes
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