Basic information
- CAS
2142-69-0- Standard SMILES
CC(=O)c1ccccc1Br- InChIKey
PIMNFNXBTGPCIL-UHFFFAOYSA-N- Molecular formula
- C8H7BrO
- Average molar mass
- 199.04 g/mol
- Monoisotopic mass
- 197.96802694
Names & identifiers
- Preferred name
- 2'-Bromoacetophenone
- IUPAC
- 1-(2-bromophenyl)ethanone
- English name
- Phenacyl Bromide
- Molecular formula
- C8H7BrO
- Molecular weight
- 199.04
Names & synonyms
2'-Bromoacetophenone2142-69-0DTXSID90175690EINECS 218-398-1NSC 155380RefChem:439578DTXCID5098181218-398-11-(2-Bromophenyl)ethanoneo-Bromoacetophenone1-(2-bromophenyl)ethan-1-oneEthanone, 1-(2-bromophenyl)-
Show more names
PHENACYL BROMIDEAKOS BBS-00004325o-bromoacetophnones2'-BromoActophenone
1-Acetyl-2-bromobenzene1-(2-bromomphenyl)ethanoneMFCD00000067Acetophenone, 2'-bromo-Acetophenone, o-bromo-o-Bromophenyl methyl ketone1-(2-bromo-phenyl)-ethanone2`-Bromoacetophenone
Database identifiers
- CAS
2142-69-0- PubChem CID
- 75060
- DTXSID
DTXSID90175690- ChEMBL
CHEMBL5289914- EC Number
- 218-398-1
- Nikkaji
- J149.810J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- °C
- Boiling point
- 116 · 116-117 °C (12 mmHg)
- Density
- 1.476 g/mL · 1.476 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.568(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- Specific Gravity
- 1.476 · 1.476
- color
- Clear pale yellow to orange
- Water Solubility
- PRACTICALLY INSOLUBLE
- BRN
- 1931534 · 1931534
- InChI
- InChI=1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
- InChIKey
- PIMNFNXBTGPCIL-UHFFFAOYSA-N
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2645
- hs_code
- 29147090
- risk_code
- 36/37/38-34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36-37/39-45-36/37/39
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- II
- Hazard statements
- H315-H319
- Precautionary statements
- P280g-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2-bromoacetophenone is employed in the selective derivatization of cytosine moieties for the determination of global DNA methylation by reversed phase high performance liquid chromatography with spectrofluorimetric detection.
Uses2′-Bromoacetophenone (2-Bromoacetophenone) was used in the synthesis of novel series of non-condensed 5,5-bicycles.
General Description2′-Bromoacetophenone (2-Bromoacetophenone) undergoes enantioselective addition reaction with phenylacetylene catalyzed by chiral camphorsulfonamide. It reacts with aliphatic primary amines in the presence of palladium catalyst to afford 3-methyleneisoindolin-1-ones.
Upstream & downstream products
Downstream products
Related reactions
54 records
Compound notes
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