Basic information
- CAS
66192-11-8- Standard SMILES
CCOC(=O)C(Cc1ccccc1Br)C(=O)OCC- InChIKey
GTTUKNWHBBEELY-UHFFFAOYSA-N- Molecular formula
- C14H17BrO4
- Average molar mass
- 329.19 g/mol
- Monoisotopic mass
- 328.03102
Names & identifiers
- Preferred name
- Diethyl 2-(2-bromobenzyl)malonate
- IUPAC
- diethyl 2-[(2-bromophenyl)methyl]propanedioate
- English name
- Propanedioic acid, [(2-bromophenyl)methyl]-, diethyl ester
- Molecular formula
- C14H17BrO4
- Molecular weight
- 329.19
Names & synonyms
Diethyl 2-(2-bromobenzyl)malonate66192-11-8diethyl 2-[(2-bromophenyl)methyl]propanedioateMFCD131917052-(2-Bromo-benzyl)-malonic acid diethyl esterSCHEMBL2386210Diethyl2-(2-bromobenzyl)malonateDTXSID70511512Propanedioic acid, [(2-bromophenyl)methyl]-, diethyl esterGTTUKNWHBBEELY-UHFFFAOYSA-NAKOS017560282FS-5064
Show more names
Propanedioic acid, 2-[(2-bromophenyl)methyl]-, 1,3-diethyl ester
diethyl(2-bromobenzyl)propan-1,3-dioateSY567303DB-319138Diethyl [(2-bromophenyl)methyl]propanedioateDiethyl 2-(2-bromobenzyl)propan-1,3-dioateF038343
Database identifiers
- CAS
66192-11-8- PubChem CID
- 12853296
- DTXSID
DTXSID70511512- Nikkaji
- J3.130.556J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 180 °C · 180 °C(Press: 12 Torr)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 12.22 · 12.22±0.59(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
天津安浩生物科技有限公司[email protected]
上海拓目化工有限公司13391076197 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
5 records
Compound notes
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