4,4′-Diaminooctafluorobiphenyl

C12H4F8N2CAS 1038-66-0328.17 g/mol

Open in Covalent MOL file
H2NFFFFNH2FFFF
Aryl halidePrimary amine

Properties

Molecular formula
C12H4F8N2
Molar mass
328.17 g/mol
Exact mass
328.0247 Da
Melting point
173–174 °C
logP
3.63Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1038-66-0
SMILES
Nc1c(F)c(F)c(-c2c(F)c(F)c(N)c(F)c2F)c(F)c1F
InChIKey
FWOLORXQTIGHFX-UHFFFAOYSA-N
InChI
InChI=1S/C12H4F8N2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • [1,1′-Biphenyl]-4,4′-diamine, 2,2′,3,3′,5,5′,6,6′-octafluoro-
  • Benzidine, 2,2′,3,3′,5,5′,6,6′-octafluoro-
  • 2,2′,3,3′,5,5′,6,6′-Octafluoro[1,1′-biphenyl]-4,4′-diamine
  • Octafluorobenzidine
  • 2,2′,3,3′,5,5′,6,6′-Octafluorobenzidine
  • 4,4′-Diaminooctafluorodiphenyl
  • NSC 88339
  • Octafluoro-4,4′-biphenylenediamine
  • 4,4′-Diamino-2,2′,3,3′,5,5′,6,6′-octafluoro-1,1′-biphenyl
  • D 1632
  • Octafluoro-4,4'-biphenylenediamine

Work with 4,4′-Diaminooctafluorobiphenyl

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Aminononafluorobiphenyl969-25-593 % similar 2,3,5,6-Tetrafluoro-1,4-benzenediamine1198-64-779 % similar Pentafluoroaniline771-60-873 % similar 2,4,5,6-Tetrafluoro-1,3-benzenediamine1198-63-669 % similar 4-Bromo-2,3,5,6-tetrafluoroaniline1998-66-958 % similar Decafluorobiphenyl434-90-253 % similar 2,3,5,6-Tetrafluoro-4-aminobenzotrifluoride651-83-250 % similar 4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook