1,1'-Oxalyldiimidazole

C₈H₆N₄O₂CAS 18637-83-7190.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆N₄O₂
Molar mass: 190.16 g/mol
Exact mass: 190.0491 Da
logP: 0.06Crippen estimate
Polar surface area: 69.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H312 Harmful in contact with skin97.6% of notifiers
H314 Causes severe skin burns and eye damage97.6% of notifiers

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

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

18637-83-7

SMILES

C1=CN(C=N1)C(=O)C(=O)N2C=CN=C2

InChIKey

ONRNRVLJHFFBJG-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N4O2/c13-7(11-3-1-9-5-11)8(14)12-4-2-10-6-12/h1-6H

Weigh it out

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

Work with 1,1'-Oxalyldiimidazole

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

1,1′-Carbonyldiimidazole530-62-165 % similar 1-(1H-Imidazol-1-yl)ethanone2466-76-458 % similar Thiocarbonyldiimidazole6160-65-252 % similar 1-(Trifluoroacetyl)imidazole1546-79-852 % similar 1H-Imidazol-1-ylphenylmethanone10364-94-048 % similar 1-(tert-Butoxycarbonyl)imidazole49761-82-247 % similar 2,2,3,3,3-Pentafluoro-1-(1H-imidazol-1-yl)-1-propanone71735-32-547 % similar 1H-Imidazol-1-yl(2,3,4,5,6-pentafluorophenyl)methanone75641-06-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(1H-Tetrazol-5-yl)benzoic acid34114-12-0 4-Tetrazol-1-yl-benzoic acid78190-05-3

Elsewhere

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