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Substance Name: Pentafluorobenzaldehyde
RN: 653-37-2
UNII: S9YIE3JZ4K
InChIKey: QJXCFMJTJYCLFG-UHFFFAOYSA-N

Molecular Formula

  • C7-H-F5-O

Molecular Weight

  • 196.074
 
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Names and Synonyms

Name of Substance

  • Pentafluorobenzaldehyde

Synonyms

  • 2,3,4,5,6-Pentafluorobenzaldehyde
  • Benzaldehyde, 2,3,4,5,6-pentafluoro-
  • EINECS 211-502-6
  • NSC 96967
  • Pentafluorobenzaldehyde
  • UNII-S9YIE3JZ4K

Systematic Names

  • Benzaldehyde, pentafluoro- (8CI)(9CI)
  • Pentafluorobenzaldehyde

Registry Numbers

CAS Registry Number

  • 653-37-2

FDA UNII

  • S9YIE3JZ4K

System Generated Number

  • 0000653372

Structure Descriptors

InChI

1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H

InChIKey

QJXCFMJTJYCLFG-UHFFFAOYSA-N

Smiles

c1(c(c(F)c(c(c1F)F)F)F)C=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 20 deg C   EXP
Boiling Point 167 deg C   EXP
log P (octanol-water) 2.710 (none)   EST
Atmospheric OH Rate Constant 1.70E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.