1,2,3,4-Butanetetracarboxylic dianhydride

C₈H₆O₆CAS 4534-73-0198.13 g/mol

Open in Covalent MOL file

Acid anhydride

Properties

Molecular formula: C₈H₆O₆
Molar mass: 198.13 g/mol
Exact mass: 198.0164 Da
Melting point: 242–243.5 °C
logP: -0.83Crippen estimate
Polar surface area: 86.7 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4534-73-0

SMILES

O=C1CC(C2CC(=O)OC2=O)C(=O)O1

InChIKey

OLQWMCSSZKNOLQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6O6/c9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12/h3-4H,1-2H2

Weigh it out

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

Names and synonyms

7 names

[3,3′-Bifuran]-2,2′,5,5′-tetrone, tetrahydro-
1,2,3,4-Butanetetracarboxylic 1,2:3,4-dianhydride
Tetrahydro[3,3′-bifuran]-2,2′,5,5′-tetrone
1,2,3,4-Butanetetracarboxylic acid dianhydride
Rikacid BT 100
BT 100
[3,3'-Bifuran]-2,2',5,5'-tetrone, tetrahydro-

Work with 1,2,3,4-Butanetetracarboxylic 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

Methylsuccinic anhydride4100-80-556 % similar Tetrahydro-1H-5,9-methanopyrano(3,4-d)oxepine-1,3,6,8(4H)-tetrone6053-46-955 % similar 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-850 % similar 3-Oxabicyclo(3.1.0)hexane-2,4-dione5617-74-350 % similar (3S)-2,5-Dioxooxolan-3-yl acetate59025-03-547 % similar (3R)-3-(Acetyloxy)dihydro-2,5-furandione79814-40-747 % similar cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-346 % similar (-)-trans-1,2-Cyclohexanedicarboxylic anhydride31982-85-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-2 2,5-Dihydroxyterephthalic acid610-92-4

Elsewhere

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