1,4-Dicyanobenzene

C8H4N2CAS 623-26-7128.13 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C8H4N2
Molar mass
128.13 g/mol
Exact mass
128.0374 Da
Melting point
224 °C
Boiling point
285 °C
logP
1.43Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
623-26-7
SMILES
N#Cc1ccc(C#N)cc1
InChIKey
BHXFKXOIODIUJO-UHFFFAOYSA-N
InChI
InChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H

Weigh it out

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Names and synonyms

15 names · show all
  • 1,4-Benzenedicarbonitrile
  • Terephthalonitrile
  • p-Dicyanobenzene
  • p-Phthalodinitrile
  • p-Benzenedinitrile
  • Terephthalodinitrile
  • 4-Cyanobenzonitrile
  • Terephthalic acid dinitrile
  • 1,4-Benzodinitrile
  • p-Phthalonitrile
  • p-Cyanobenzonitrile
  • 1,4-Bis(cyano)benzene
  • p-Benzenedicarbonitrile
  • NSC 144977
  • NSC 78439

Work with 1,4-Dicyanobenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-680 % similar Benzonitrile100-47-073 % similar 4-Methylbenzonitrile104-85-867 % similar 4,4'-(1-Methylene) bis-benzonitrile10466-37-267 % similar 4-Fluorobenzonitrile1194-02-167 % similar 4,4′-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]13001-40-667 % similar (1,1'-Biphenyl)-4-carbonitrile2920-38-967 % similar 4-Iodobenzonitrile3058-39-767 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isophthalonitrile626-17-5 Phthalonitrile91-15-6

Elsewhere

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