1,2,3,6-Tetrahydrophthalic anhydride

C₈H₈O₃CAS 85-43-8152.15 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
Density: 1.2 g/mL (at 105 °C)
Melting point: 102 °C
Boiling point: 195 °C (at 50 Torr)
Flash point: 157 °C (open cup)
logP: 0.65Crippen 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[4]), 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

85-43-8

SMILES

O=C1OC(=O)C2CC=CCC12

InChIKey

KMOUUZVZFBCRAM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

21 names · show all

1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-
4-Cyclohexene-1,2-dicarboxylic anhydride
3a,4,7,7a-Tetrahydro-1,3-isobenzofurandione
Maleic anhydride-butadiene adduct
δ4-Tetrahydrophthalic anhydride
Tetrahydrophthalic anhydride
Tetrahydrophthalic acid anhydride
4-Cyclohexene-1,2-dicarboxylic acid anhydride
1,2,3,6-Tetrahydrophthalic acid anhydride
Rikacid TH
Cyclohexene-4,5-dicarboxylic anhydride
Rikacid THPA
NSC 82642
KBH 1098
HK 019
B 570H
THPA
Epiclon B 570H
Tetrahydroisobenzofuran-1,3-dione
1,3,3a,4,7,7a-Hexahydro-2-benzofuran-1,3-dione
Anhydride 70

Work with 1,2,3,6-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tetrahydrophthalic anhydride935-79-5Defined stereoisomer

Similar compounds

Diglycidyl tetrahydrophthalate21544-03-659 % similar 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-857 % similar 3-Oxabicyclo(3.1.0)hexane-2,4-dione5617-74-357 % similar 3-Methyltetrahydrophthalic anhydride5333-84-653 % similar cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-352 % similar (-)-trans-1,2-Cyclohexanedicarboxylic anhydride31982-85-152 % similar Rel-(3aR,6aS)-Tetrahydro-1H-cyclopenta[c]furan-1,3(3aH)-dione35878-28-552 % similar trans-Cyclohexane-1,2-dicarboxylic anhydride71749-03-652 % 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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