2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one

HCID 75828CAS 2631-72-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CBr)c1ccc(Cl)cc1Cl
InChIKey
DASJDMQCPIDJIF-UHFFFAOYSA-N
Molecular formula
C8H5BrCl2O
Average molar mass
267.93 g/mol
Monoisotopic mass
265.89008224

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

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

70 records
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Linked notes

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