CAS 344-07-0|chloropentafluorobenzene|Chloropentafluorobenzene|1-chloro-2,3,4,5,6-pentafluorobenzene|PENTAFLUOROCHLORO BENZENE|1-chloro-2,3,4,5,6-pentafluorobenzene|Chloropentafluorobenzene|Chlorope...

General Information

Structure

Molecular Formula

C₆ClF₅

Molecular Mass

202.509216

Exact Mass

201.96086878

Charge

InChI

InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChIKey

KGCDGLXSBHJAHZ-UHFFFAOYSA-N

Canonic Smiles

Fc1c(F)c(F)c(c(c1F)Cl)F

Isomeric Smiles

c1(Cl)c(F)c(F)c(c(c1F)F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.2908

LogD (pH = 7.4)

3.2908

Log P

3.2908

Molar Refractivity

31.9448

Polarizability

11.662406

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

chloropentafluorobenzene

Synonyms

ChloropentafluorobenzenePENTAFLUOROCHLORO BENZENE1-chloro-2,3,4,5,6-pentafluorobenzeneChloropentafluorobenzeneChloroperfluorobenzene 99%氯五氟苯ChloropentafluorobenzenePentafluorochlorobenzene五氟氯苯

IUPAC name

1-chloro-2,3,4,5,6-pentafluorobenzene

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

EC Number

PubChem SID

Beilstein Number

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

PC2010

see: J. Organomet. Chem., 17, 145, (1969)preparation of pentafluorophenyl Grignard (Mg in THF at -10C).

MP Biomedicals

05221806

MP Biomedicals Rare Chemical collection

Sigma Aldrich

193666

Packaging
25 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• For preparation of pentafluorophenyl Grignard by reaction with magnesium in THF at -10^o, see: J. Organomet. Chem., 17, 145 (1969).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

chloropentafluorobenzene

Synonyms

IUPAC name

1-chloro-2,3,4,5,6-pentafluorobenzene

Registration numbers

MDL Number

CAS Number

PubChem CID

EC Number

PubChem SID

Beilstein Number

Molecule Details

PC2010

see: J. Organomet. Chem., 17, 145, (1969)preparation of pentafluorophenyl Grignard (Mg in THF at -10C).

MP Biomedicals

05221806

MP Biomedicals Rare Chemical collection

Sigma Aldrich

193666

Packaging
25 g in glass bottle

References

PubChem Literature

From Data Sources

• For preparation of pentafluorophenyl Grignard by reaction with magnesium in THF at -10^o, see: J. Organomet. Chem., 17, 145 (1969).

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:9762