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

C24H4Cl4O6CAS 156028-26-1530.09 g/mol

Open in Covalent MOL file
ClOOOClOOOClCl
Acid anhydrideAryl 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 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
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

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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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