Basic information
- Standard SMILES
CCC(=O)Oc1ccc(Br)cc1- InChIKey
JPUYGYIPZTYGTI-UHFFFAOYSA-N- Molecular formula
- C9H9BrO2
- Average molar mass
- 229.07 g/mol
- Monoisotopic mass
- 227.97859
Names & identifiers
- Preferred name
- p-Bromophenyl propionate
- IUPAC
- (4-bromophenyl) propanoate
- English name
- p-bromophenyl propionate
- Molecular formula
- C9H9BrO2
- Molecular weight
- 229.07
Names & synonyms
23600-77-3p-Bromophenyl propionate(4-bromophenyl) propanoate4-bromophenyl propionate4-Bromophenyl Propanoate4-BromophenylpropionatePhenol, 4-bromo-, propanoate65284H2QECNSC-52968NSC52968EINECS 245-772-1p-Bromophenyl propanoate
Show more names
4-Bromophenol propionate
AI3-17712UNII-65284H2QECSCHEMBL1821398SCHEMBL4642693SCHEMBL4642695DTXSID20178255Phenol, 4-bromo-, 1-propanoateNSC 52968
Database identifiers
- CAS
23600-77-3- PubChem CID
- 90205
- DTXSID
DTXSID20178255- UNII
- 65284H2QEC
- EC Number
- 245-772-1
- Nikkaji
- J229.016B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 11.6 °C · 11.6 °C
- Boiling point
- 113 °C · 113 °C(Press: 3 Torr)
- Density
- 1.4374 g/cm3 · 1.4374 g/cm3
- FDA UNII
- 65284 H2QEC · 65284H2QEC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [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]
Related reactions
11 records
Linked notes
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