o-Bromophenyl acetate
Basic information
- CAS
1829-37-4- Standard SMILES
CC(=O)Oc1ccccc1Br- InChIKey
BEHBHYYPTOHUHX-UHFFFAOYSA-N- Molecular formula
- C8H7BrO2
- Average molar mass
- 215.04 g/mol
- Monoisotopic mass
- 213.96294
Names & identifiers
- Preferred name
- o-Bromophenyl acetate
- IUPAC
- (2-bromophenyl) acetate
- English name
- 1-Acetoxy-2-bromobenzene
- Molecular formula
- C8H7BrO2
- Molecular weight
- 215.04
Names & synonyms
2-BROMOPHENYL ACETATE2-Bromophenol acetateo-Bromophenyl acetate1-ACETOXY-2-BROMOBENZENEo-AcetoxybromobenzenePhenol, o-bromo-, acetatePhenol, 2-bromo-, acetateNSC 404082EINECS 217-380-03857W8NH83NSC-404082AI3-17301
Show more names
(2-BROMOPHENYL) ACETATE(2-bromophenyl) ethanoatePhenol, 2-bromo-, 1-acetate(2-Bromophenyl) acetate, 98 %
Acetic acid, 2-bromophenyl esterDTXSID70171357RefChem:167159DTXCID5093848Phenol, o-bromo-, acetate (8CI)217-380-0BEHBHYYPTOHUHX-UHFFFAOYSA-N1829-37-4
Database identifiers
- CAS
1829-37-4- PubChem CID
- 74586
- DTXSID
DTXSID70171357- UNII
- 3857W8NH83
- EC Number
- 217-380-0
- Nikkaji
- J105.292F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.2
Physicochemical properties
- storage temp.
- Store at Room Tem.
- FDA UNII
- 3857 W8NH83 · 3857W8NH83
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H332
- Precautionary statements
- 261 · P261-P271
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+H332
- Precautionary statements
- P261-P271
Chemistry & industry
Applications
Uses2-Bromophenol Acetate is an important intermediate/chemical precursor in the fields of agrochemical synthesis, molecular recognition and material science.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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