Tetrafluoroterephthalonitrile

C8F4N2CAS 1835-49-0200.10 g/mol

Open in Covalent MOL file
NFFNFF
Aryl halideNitrile

Properties

Molecular formula
C8F4N2
Molar mass
200.10 g/mol
Exact mass
199.9998 Da
Melting point
198 °C
logP
1.99Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1835-49-0
SMILES
N#Cc1c(F)c(F)c(C#N)c(F)c1F
InChIKey
PCRSJGWFEMHHEW-UHFFFAOYSA-N
InChI
InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11

Weigh it out

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

Names and synonyms

13 names · show all
  • 1,4-Benzenedicarbonitrile, 2,3,5,6-tetrafluoro-
  • Terephthalonitrile, tetrafluoro-
  • 2,3,5,6-Tetrafluoro-1,4-benzenedicarbonitrile
  • Diamond 2031
  • 1,4-Dicyanotetrafluorobenzene
  • 2,3,5,6-Tetrafluoroterephthalonitrile
  • Tetrafluoroterephthalodinitrile
  • 2,3,5,6-Tetrafluoro-1,4-benzodinitrile
  • 1,2,4,5-Tetrafluoro-3,6-dicyanobenzene
  • NSC 97007
  • 1,4-Dicyano-2,3,5,6-tetrafluorobenzene
  • 2,3,5,6-Tetrafluoro-1,4-dicyanobenzene
  • 2,3,5,6-Tetrafluorophthalonitrile

Work with Tetrafluoroterephthalonitrile

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

Pentafluorobenzonitrile773-82-093 % similar 2,4,6-Trifluorobenzene-1,3,5-tricarbonitrile3638-97-987 % similar 4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-070 % similar 2,3,5,6-Tetrafluorobenzonitrile5216-17-165 % similar 5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile1897-50-362 % similar 2,3,6-Trifluorobenzonitrile136514-17-552 % similar 2,6-Difluorobenzonitrile1897-52-543 % similar 3-Chloro-2,6-difluorobenzonitrile86225-73-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile1835-65-0 2,4,5,6-Tetrafluoroisophthalonitrile2377-81-3

Elsewhere

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