1,2,4,5-Benzenetetracarbonitrile

C10H2N4CAS 712-74-3178.15 g/mol

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Nitrile

Properties

Molecular formula
C10H2N4
Molar mass
178.15 g/mol
Exact mass
178.0279 Da
Density
1.35 g/mL
Melting point
258 °C
logP
1.17Crippen estimate
Polar surface area
95.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number
712-74-3
SMILES
N#Cc1cc(C#N)c(C#N)cc1C#N
InChIKey
FAAXSAZENACQBT-UHFFFAOYSA-N
InChI
InChI=1S/C10H2N4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H

Weigh it out

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Names and synonyms

9 names
  • Pyromellitonitrile
  • Pyromellitic tetranitrile
  • 1,2,4,5-Tetracyanobenzene
  • 1,2,4,5-Benzenetetranitrile
  • Pyromellitotetranitrile
  • Sym-Tetracyanobenzene
  • Pyromellitic acid tetranitrile
  • Pyromellitic nitrile
  • TCNB

Work with 1,2,4,5-Benzenetetracarbonitrile

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

4,5-Diamino-1,2-benzenedicarbonitrile129365-93-161 % similar 4,5-Dichlorophthalonitrile139152-08-261 % similar 2,3-Dicyanonaphthalene22856-30-061 % similar Phthalonitrile91-15-656 % similar 4-Hydroxybenzene-1,2-dicarbonitrile30757-50-755 % similar 3,4-Dicyanothiophene,18853-32-250 % similar 4-Amino-1,2-benzenedicarbonitrile56765-79-850 % similar 4-Methylphthalonitrile63089-50-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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