Benzyl 3-bromopropanoate
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Basic information
- CAS
90841-55-7- Standard SMILES
O=C(CCBr)OCc1ccccc1- InChIKey
QJKVDFRAKMVERC-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 241.99424
Names & identifiers
- Preferred name
- Benzyl 3-bromopropanoate
- IUPAC
- benzyl 3-bromopropanoate
- English name
- benzyl 3-bromopropanoate
- Molecular formula
- C10H11BrO2
- Molecular weight
- 243.1
Names & synonyms
benzyl 3-bromopropanoate90841-55-7MFCD22495411NSC74640benzyl3-bromopropanoateBenzyl-3-bromopropionateSCHEMBL1364951SCHEMBL9650418DTXSID00291274QJKVDFRAKMVERC-UHFFFAOYSA-NNSC-74640AKOS037649285
Show more names
benzyl 3-bromopropionatePropanoic acid, 3-bromo-, phenylmethyl ester
BS-17816DA-01226SY271674CS-0044117D72702F545888
Database identifiers
- CAS
90841-55-7- PubChem CID
- 252570
- DTXSID
DTXSID00291274- Nikkaji
- J2.990.934B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 133 · 133-135 °C(Press: 6 Torr)
- Density
- 1.413 · 1.413±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
6 records
Compound notes
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