1,6,7,12-Tetrachloroperylene tetracarboxylic acid dianhydride

C₂₄H₄Cl₄O₆CAS 156028-26-1530.09 g/mol

Open in Covalent MOL file

Acid anhydride Aryl halide

Properties

Molecular formula: C₂₄H₄Cl₄O₆
Molar mass: 530.09 g/mol
Exact mass: 527.8762 Da
logP: 6.97Crippen estimate
Polar surface area: 86.7 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

156028-26-1

SMILES

C1=C2C3=C4C(=C1Cl)C5=C(C=C6C7=C5C(=C(C=C7C(=O)OC6=O)Cl)C4=C(C=C3C(=O)OC2=O)Cl)Cl

InChIKey

YGRXZLAMYLGXMF-UHFFFAOYSA-N

InChI

InChI=1S/C24H4Cl4O6/c25-9-1-5-13-6(22(30)33-21(5)29)2-11(27)17-18-12(28)4-8-14-7(23(31)34-24(8)32)3-10(26)16(20(14)18)15(9)19(13)17/h1-4H

Weigh it out

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Work with 1,6,7,12-Tetrachloroperylene tetracarboxylic acid dianhydride

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-Dichlorophthalic anhydride942-06-369 % similar 3-Chlorophthalic anhydride117-21-553 % similar Naphthalenetetracarboxylic dianhydride81-30-152 % similar 4-Chloro-1,8-naphthalic anhydride4053-08-149 % similar 3,6-Dichlorophthalic anhydride4466-59-547 % similar 4-Chlorophthalic anhydride118-45-645 % similar Perylenetetracarboxylic dianhydride128-69-845 % similar 1,8-Naphthalic anhydride81-84-544 % similar

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

Elsewhere

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