Pentafluorobenzoic Acid | CAS No. 602-94-8

Pentafluorobenzoic Acid

Basic Information

CAS Number

602-94-8

Molecular Formula

C7HF5O2

Molecular Weight

212.07 g/mol

AD

Basic Physical Properties

Melting Point

103.0 to 105.0 deg-C

Boiling Point

220 °C

Density

1,944 g/cm3

Flash Point

219-221°C

Refractive Index

1.513

C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)O

InChI

InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)

InChIKey

YZERDTREOUSUHF-UHFFFAOYSA-N

LogP

2.0803000000000003

pKa

1.75(at 25℃)

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

220

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • CS-0030580
  • CHEBI:46796
  • D72572
  • NSC 88337
  • InChI=1/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
  • FT-0609327
  • 602-94-8
  • NSC-88337
  • B4JCP8R5GJ
  • AS-11945
  • UNII-B4JCP8R5GJ
  • EINECS 210-026-6
  • BENZOIC ACID, PENTAFLUORO-
  • P0806
  • 2,3,4,5,6-pentafluoro-benzoic acid
  • DTXSID4060527
  • Pentafluorobenzoic acid
  • MFCD00002406
  • AKOS000119713
  • SCHEMBL203915
  • Benzoic acid, 2,3,4,5,6-pentafluoro-
  • C7HF5O2
  • AMY3640
  • 2,3,4,5,6-Pentafluorobenzoicacid
  • W-105266
  • PB47373
  • NSC88337
  • Perfluorobenzoic acid
  • 2,3,4,5,6-Pentafluorobenzoic acid, 99%
  • 4-09-00-00956 (Beilstein Handbook Reference)
  • NS00042893

MDL Number

MFCD00002406

Customs Code

29163900

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