CAS 19393-92-1|1-bromo-2,6-dichlorobenzene|2-bromo-1,3-dichlorobenzene|1-Bromo-2,6-dichlorobenzene|1-溴-2,6-二氯苯|1-Bromo-2,6-dichlorobenzene|2-bromo-1,3-dichlorobenzene|2-溴-1,3-二氯苯|1-Bromo-2,6...

General Information

Structure

Molecular Formula

C₆H₃BrCl₂

Molecular Mass

225.89802

Exact Mass

223.87951746

Charge

InChI

InChI=1S/C6H3BrCl2/c7-6-4(8)2-1-3-5(6)9/h1-3H

InChIKey

UWOIDOQAQPUVOH-UHFFFAOYSA-N

Canonic Smiles

Clc1cccc(c1Br)Cl

Isomeric Smiles

Brc1c(cccc1Cl)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.9500878

LogD (pH = 7.4)

3.9500878

Log P

3.9500878

Molar Refractivity

43.2904

Polarizability

17.083834

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-bromo-2,6-dichlorobenzene

Synonyms

1-Bromo-2,6-dichlorobenzene1-溴-2,6-二氯苯1-Bromo-2,6-dichlorobenzene2-bromo-1,3-dichlorobenzene2-溴-1,3-二氯苯2-Bromo-1,3-dichlorobenzene1-Bromo-2,6-dichlorobenzene2,6-Dichlorobromobenzene

IUPAC name

2-bromo-1,3-dichlorobenzene

Names and Identifiers

Registration numbers

EC Number

MDL Number

Beilstein Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

Irritant/Light Sensitive

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Product Information

BrC6H3Cl2

99%

95%

97%

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

160652

Packaging
25 g in poly bottle

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

1-bromo-2,6-dichlorobenzene

Synonyms

1-Bromo-2,6-dichlorobenzene1-溴-2,6-二氯苯1-Bromo-2,6-dichlorobenzene2-bromo-1,3-dichlorobenzene2-溴-1,3-二氯苯2-Bromo-1,3-dichlorobenzene1-Bromo-2,6-dichlorobenzene2,6-Dichlorobromobenzene

IUPAC name

2-bromo-1,3-dichlorobenzene

Registration numbers

EC Number

MDL Number

Beilstein Number

CAS Number

PubChem SID