3,4,5,6-Tetrahydrophthalic anhydride

C₈H₈O₃CAS 2426-02-0152.15 g/mol

Open in Covalent MOL file

Acid anhydride Alkene

Properties

Molecular formula: C₈H₈O₃
Molar mass: 152.15 g/mol
Exact mass: 152.0473 Da
Melting point: 74 °C
Boiling point: 145–155 °C (at NaN Torr)
logP: 0.94Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H317 May cause an allergic skin reactionSensitization, Skin
H318 Causes serious eye damageSerious eye damage/eye irritation
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaledSensitization, respiratory
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 607-099-00-5[3]), via PubChem.

Precautionary statements

P233, P260, P261, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

2426-02-0

SMILES

O=C1OC(=O)C2=C1CCCC2

InChIKey

HMMBJOWWRLZEMI-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2

Weigh it out

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

Names and synonyms

12 names

1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-
1-Cyclohexene-1,2-dicarboxylic anhydride
4,5,6,7-Tetrahydro-1,3-isobenzofurandione
3,4,5,6-Tetrahydrophthalic acid anhydride
δ1-Tetrahydrophthalic anhydride
1-Cyclohexene-1,2-dicarboxylic acid anhydride
Tetrahydrophthalic anhydride
NSC 11211
NSC 61333
Rikacid HT 1A
4,5,6,7-Tetrahydro-isobenzofuran-1,3-dione
1,3,4,5,6,7-Hexahydro-2-benzofuran-1,3-dione

Work with 3,4,5,6-Tetrahydrophthalic 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

Adipic anhydride2035-75-843 % similar 4,5,6,7-Tetrahydro-1H-isoindole-1,3(2H)-dione4720-86-941 % similar Tetrahydrophthalimide27813-21-439 % similar Glutaric anhydride108-55-438 % similar 2,3-Dihydro-1,4-dithiino[2,3-c]furan-5,7-dione10489-75-538 % similar Dichloromaleic anhydride1122-17-436 % similar Dimethylmaleic anhydride766-39-236 % similar 2-Amino-cyclopent-1-enecarboxylic acid ethyl ester7149-18-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3',4'-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 ortho-Vanillin148-53-8

Elsewhere

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