CAS 2631-72-3|CAS 170894-53-8|2-bromo-1-(2,4-dichlorophenyl)ethan-1-one|2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one|2-Bromo-2',4'-dichloroacetophenone|2,4-Dichlorophenacyl bromide 97%|2-bromo-1-(2,4-d...

General Information

Structure

Molecular Formula

C₈H₅BrCl₂O

Molecular Mass

267.9347

Exact Mass

265.89008214

Charge

InChI

InChI=1S/C8H5BrCl2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2

InChIKey

DASJDMQCPIDJIF-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccc(cc1Cl)Cl

Isomeric Smiles

O=C(c1c(cc(cc1)Cl)Cl)CBr

Calculated Properties

JChem

Acid pKa

14.972369

H Acceptors

H Donor

LogD (pH = 5.5)

3.4618218

LogD (pH = 7.4)

3.4618218

Log P

3.4618218

Molar Refractivity

53.8071

Polarizability

20.752779

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one2-Bromo-2',4'-dichloroacetophenone2,4-Dichlorophenacyl bromide 97%2-Bromo-2′,4′-dichloroacetophenone2-溴-2′,4′-二氯苯乙酮2-Bromo-2',4'-dichloroacetophenone2',4'-Dichloro-2-bromoacetophenone2,4-Dichlorophenacyl bromideα-Bromo-2,4-dichloroacetophenoneω-Bromo-2,4-dichloroacetophenone2,4-Dichlorophenyl Bromomethyl Ketone2-Bromo-1-(2,4-dichlorophenyl)ethanone2-Bromo-2',4'-dichloroacetophenone 2-BROMO-2',4'-DICHLOROACETOPHENONE

IUPAC Traditional name

2-bromo-1-(2,4-dichlorophenyl)ethanone

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

PubChem SID

PubChem CID

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

595268

Packaging
1, 5 g in glass bottle

TRC

B683405

2-Bromo-2',4'-dichloroacetophenone is a metabolite of the insecticide Bromfenvinphos. It is also a useful intermediate in the preparation of substituted acetophenone derivatives.

Molecule Details

References

PubChem Literature

From Data Sources

• Gwiazda, M. et al.: Organika, 85 (1976)

• Szatkowska, B. et al.: Food Chem. Toxicol., 49, 502 (1976)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

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

Synonyms

IUPAC Traditional name

2-bromo-1-(2,4-dichlorophenyl)ethanone

Registration numbers

MDL Number

CAS Number

EC Number

PubChem SID

PubChem CID

Molecule Details

595268

Packaging
1, 5 g in glass bottle

TRC

B683405

2-Bromo-2',4'-dichloroacetophenone is a metabolite of the insecticide Bromfenvinphos. It is also a useful intermediate in the preparation of substituted acetophenone derivatives.

References

PubChem Literature

From Data Sources

• Gwiazda, M. et al.: Organika, 85 (1976)

• Szatkowska, B. et al.: Food Chem. Toxicol., 49, 502 (1976)

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:75909