Citraconic anhydride
Properties
- Molecular formula
- C5H4O3
- Molar mass
- 112.08 g/mol
- Exact mass
- 112.0160 Da
- Density
- 1.2469 g/mL (at 16 °C)
- Melting point
- 7–8 °C
- Boiling point
- 213–214 °C
- logP
- 0.02Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Danger
- H311 Toxic in contact with skin23.9% of notifiers
- H314 Causes severe skin burns and eye damage95.5% of notifiers
- H317 May cause an allergic skin reaction96.4% of notifiers
- H318 Causes serious eye damage73.4% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled95.5% of notifiers
- H335 May cause respiratory irritation19.8% of notifiers
Aggregated from 222 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P333+P317, P342+P316, P361+P364, P362+P364, P363, P403, P403+P233, P405, P501
Identifiers
CAS number
616-02-4SMILES
CC1=CC(=O)OC1=OInChIKey
AYKYXWQEBUNJCN-UHFFFAOYSA-NInChI
InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- 2,5-Furandione, 3-methyl-
- 3-Methyl-2,5-furandione
- 2-Methylmaleic anhydride
- 3-Methylmaleic anhydride
- Citraconic acid anhydride
- Methylmaleic anhydride
- α-Methylmaleic anhydride
- Monomethylmaleic anhydride
- NSC 6182
- 2-Methyl-2-butenedioic anhydride
- 3-Methyl-2,5-dihydrofuran-2,5-dione
Reactions
Work with Citraconic 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3-Bromo-2,5-furandione5926-51-248 % similar
Phenylmaleic anhydride36122-35-739 % similar
Aconitic anhydride6318-55-439 % similar
Methyl tiglate6622-76-037 % similar
Dimethylmaleic anhydride766-39-236 % similar
Methyl 3-amino-2-butenoate14205-39-135 % similar
Dimethyl maleate624-48-635 % similar
Dimethyl fumarate624-49-735 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds