Itaconic anhydride

C₅H₄O₃CAS 2170-03-8112.08 g/mol

Open in Covalent MOL file

Acid anhydride Alkene

Properties

Molecular formula: C₅H₄O₃
Molar mass: 112.08 g/mol
Exact mass: 112.0160 Da
Melting point: 69 °C
Boiling point: 139–140 °C (at 30 Torr)
logP: 0.02Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2170-03-8

SMILES

C=C1CC(=O)OC1=O

InChIKey

OFNISBHGPNMTMS-UHFFFAOYSA-N

InChI

InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2

Weigh it out

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

Names and synonyms

11 names

2,5-Furandione, dihydro-3-methylene-
Succinic anhydride, methylene-
Dihydro-3-methylene-2,5-furandione
Methylenesuccinic anhydride
Itaconic acid anhydride
3-Methylenedihydrofuran-2,5-dione
NSC 43979
3-Methylidenedihydrofuran-2,5-dione
KD 13
3,4-Dihydro-3-methylene-2,5-Furandione
3-Methylideneoxolane-2,5-dione

Reactions

Itaconic anhydride and itaconic acidproduct

Work with Itaconic 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

Dimethyl itaconate617-52-757 % similar Dibutyl itaconate2155-60-447 % similar Tulipalin A547-65-939 % similar (Triphenylphosphoranylidene)succinic anhydride906-65-036 % similar Succinic anhydride108-30-533 % similar 2-(Acetoacetoxy)ethyl methacrylate21282-97-332 % similar Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-632 % similar Methacrylic anhydride760-93-032 % similar

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

Same formula

3-Furancarboxylic acid488-93-7 3-Hydroxy-4-pyrone496-63-9 Citraconic anhydride616-02-4 2-Furoic acid88-14-2

Elsewhere

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