2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one
Basic information
- CAS
2631-72-3- Standard SMILES
O=C(CBr)c1ccc(Cl)cc1Cl- InChIKey
DASJDMQCPIDJIF-UHFFFAOYSA-N- Molecular formula
- C8H5BrCl2O
- Average molar mass
- 267.93 g/mol
- Monoisotopic mass
- 265.89008
Names & identifiers
- Preferred name
- 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one
- IUPAC
- 2-bromo-1-(2,4-dichlorophenyl)ethanone
- English name
- 2-Bromo-2',4'-dichloroacetophenone
- Molecular formula
- C8H5BrCl2O
- Molecular weight
- 267.93
Names & synonyms
2631-72-32-Bromo-1-(2,4-dichlorophenyl)ethan-1-one2,4-Dichlorophenacyl BromideEINECS 220-116-7DTXSID80180930RefChem:465856DTXCID20103421220-116-72-Bromo-2',4'-dichloroacetophenone2-bromo-1-(2,4-dichlorophenyl)ethanone170894-53-8Ethanone, 2-bromo-1-(2,4-dichlorophenyl)-
Show more names
AKOS BBS-00003995TIMTEC-BB SBB0030502-Bromo-2’,4’-dichLKetoconazole Impurity 372,4-DichlorophenacylBromide>2,4-Dichlorophenacyl bromide 97%2-BROMO-2",4"-DICHLOROCETOPHENONE
MFCD000530052-BROMO-2,4-DICHLOROACETOPHENONE2-bromo-1-(2,4-dichloro-phenyl)-ethanone2-bromo-2',4'-dichloroacetophenonCS-M07842-Bromo-2',4'-dichloroacetophenone, 97%1-(2,4-dichlorophenyl)-2-bromoethan-1-one2-bromo-1-(2,4-dichlorophenyl)-1-ethanone
Database identifiers
- CAS
2631-72-3- PubChem CID
- 75828
- DTXSID
DTXSID80180930- UNII
- W96MUY2Q2J
- EC Number
- 220-116-7
- Nikkaji
- J192.150I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 25 · 25-29 °C(lit.)
- Boiling point
- 103 · 103-106 °C(Press: 0.4 Torr)
- Density
- 1.695 · 1.695±0.06 g/cm3(Predicted)
- refractive index
- 1.6 · 1.60
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform, Methanol
- form
- Low Melting Solid
- color
- White to brown
- Sensitive
- Lachrymatory
- InChI
- InChI=1S/C8H5BrCl2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
- InChIKey
- DASJDMQCPIDJIF-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=C(Cl)C=C1Cl)CBr
- CAS DataBase Reference
- 2631 · 2631-72-3(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06,GHS05
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (95.2%)
Safety data
- wgk
- 3
- ridadr
- UN 3335
- hs_code
- 29147000
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS05
- hazard_code
- Xi,C
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 26-36
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H290-H314-H301-H315-H318-H335
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P501a-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P261-P280-P301+P310-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromo-2',4'-dichloroacetophenone is a metabolite of the insecticide Bromfenvinphos. It is also a useful intermediate in the preparation of substituted acetophenone derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
70 records
Compound notes
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