4-tert-Butylphthalic anhydride

C₁₂H₁₂O₃CAS 32703-79-0204.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂O₃
Molar mass: 204.22 g/mol
Exact mass: 204.0786 Da
Melting point: 75.5–76.5 °C
logP: 2.29Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

32703-79-0

SMILES

CC(C)(C)c1ccc2c(c1)C(=O)OC2=O

InChIKey

YLJYVKLZVHWUCT-UHFFFAOYSA-N

InChI

InChI=1S/C12H12O3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

5 names

1,3-Isobenzofurandione, 5-(1,1-dimethylethyl)-
Phthalic anhydride, 4-tert-butyl-
5-(1,1-Dimethylethyl)-1,3-isobenzofurandione
4-tert-Butyl phthalic acid anhydride
5-tert-Butyl-1,3-isobenzofurandione

Work with 4-tert-Butylphthalic anhydride

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

4,4′-(Hexafluoroisopropylidene)diphthalic anhydride1107-00-262 % similar 2,2-Bis(4-(3,4-dicarboxyphenoxy)phenyl)propane dianhydride38103-06-958 % similar 5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone2420-87-355 % similar 4-Methylphthalic anhydride19438-61-055 % similar 2-tert-Butylanthraquinone84-47-954 % similar 1,6,7,12-Tetra-tert-butylphenoxyperylene-3,4,9,10-tetracarboxylic dianhydride156028-30-754 % similar 4,4'-Oxydiphthalic anhydride1823-59-252 % similar 4-Chlorophthalic anhydride118-45-650 % similar

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

Same formula

Ethyl (2E)-4-oxo-4-phenyl-2-butenoate15121-89-8 Ethyl (2E)-4-oxo-4-phenyl-2-butenoate17450-56-5 Benzyl 3-oxocyclobutanecarboxylate198995-91-4 3-Methylbenzofuran-2-carboxylic acid ethyl ester22367-82-4 1,1′,1′′-(1,3,5-Benzenetriyl)tris[ethanone]779-90-8 (βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid865233-35-8 7-Ethoxy-4-methylcoumarin87-05-8

Elsewhere

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