CAS 2251-50-5|CAS 2251-50-5|pentafluorobenzoyl chloride|Pentafluorobenzoyl chloride|pentafluorobenzoyl chloride|Pentafluorobenzoyl chloride|Perfluorobenzoyl Chloride|Perfluorobenzoyl chloride 99%|2,...

General Information

Structure

Molecular Formula

C₇ClF₅O

Molecular Mass

230.519316

Exact Mass

229.9557834

Charge

InChI

InChI=1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10

InChIKey

MYHOHFDYWMPGJY-UHFFFAOYSA-N

Canonic Smiles

Fc1c(F)c(C(=O)Cl)c(c(c1F)F)F

Isomeric Smiles

C(=O)(c1c(c(c(c(c1F)F)F)F)F)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.8776681

LogD (pH = 7.4)

2.8776681

Log P

2.8776681

Molar Refractivity

38.2547

Polarizability

13.5756035

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

pentafluorobenzoyl chloride

Synonyms

Pentafluorobenzoyl chloridePentafluorobenzoyl chloridePerfluorobenzoyl ChloridePerfluorobenzoyl chloride 99%2,3,4,5,6-PENTAFLUOROBENZOYL CHLORIDE五氟苯酰氯五氟苯甲酰氯2,3,4,5,6-Pentafluorobenzoyl chloride2,3,4,5,6-五氟苯甲酰氯Pentafluorobenzoic acid chloride五氟苯甲酰氯2,3,4,5,6-Pentafluorobenzoyl chloride2,3,4,5,6-Pentafluorobenzoic acid chloridePentafluorobenzoyl chlorideNSC 97002

IUPAC Traditional name

pentafluorobenzoyl chloride

Names and Identifiers

Registration numbers

PubChem CID

75256

PubChem SID

16097289624846622248870412489813024887042

EC Number

MDL Number

Beilstein Number

CAS Number

Registration numbers

Properties

Safety Information

LACHRYMATOR, CORROSIVE

Corrosive/Lachrymatory/Moisture Sensitive/Store under Argon

Moisture Sensitive

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Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

PC5530

Useful reagent for the derivatisation of primary amines, etc for GC analysis.

MP Biomedicals

02156090

1 ml = approx. 1.60 g

Sigma Aldrich

103772

Application
Derivatizing agent for GC.
Packaging
1, 5, 25 g in ampule

76732

Other Notes
Sensitive derivatizing reagent for the analysis of amines, amides and phenols by electron capture gas chromatography1

TRC

P270300

Pentafluorobenzoyl Chloride is a useful analytical reagent in the derivatization amphetamines as well as other primary amines.

Molecule Details

References

PubChem Literature

From Data Sources

• Koster, E. et al.: Analyst, 127, 598 (2002)

• Reagent for the preparation of derivatives of primary amines, etc. for GC. For monographs on GC reagents, see: D. R. Knapp, Handbook of Analytical Derivatisation Reactions, Wiley, N.Y. (1979); Handbook of Derivatives for Chromatography, 2nd ed., K. Blau and J. M. Halket, Eds., Wiley, Chichester (1993).

References

Bioactivity

PubChem BioAssay

Bioactivity