Phenylmaleic anhydride

C₁₀H₆O₃CAS 36122-35-7174.15 g/mol

Open in Covalent MOL file

Acid anhydride Alkene

Properties

Molecular formula: C₁₀H₆O₃
Molar mass: 174.15 g/mol
Exact mass: 174.0317 Da
Melting point: 119–119.5 °C
Boiling point: 122–125 °C (at 0.2 Torr)
logP: 1.15Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers
H312 Harmful in contact with skin87% of notifiers
H315 Causes skin irritation13% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H332 Harmful if inhaled88.9% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 54 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

36122-35-7

SMILES

O=C1C=C(c2ccccc2)C(=O)O1

InChIKey

QZYCWJVSPFQUQC-UHFFFAOYSA-N

InChI

InChI=1S/C10H6O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6H

Weigh it out

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

Names and synonyms

6 names

2,5-Furandione, 3-phenyl-
Maleic anhydride, phenyl-
3-Phenyl-2,5-furandione
NSC 191772
3-Phenylfuran-2,5-dione
3-Phenyl-2,5-dihydrofuran-2,5-dione

Work with Phenylmaleic 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

2,5-Diphenyl-2,5-cyclohexadiene-1,4-dione844-51-948 % similar Benzoic anhydride93-97-042 % similar 3-Bromo-2,5-furandione5926-51-239 % similar Citraconic anhydrides616-02-439 % similar 4-(Acryloyloxy)benzophenone22535-49-539 % similar Methyl phenylglyoxylate15206-55-039 % similar 1,4-Diphenyl-2-butene-1,4-dione4070-75-138 % similar Benzoyl peroxide94-36-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Formylchromone17422-74-1 Juglone481-39-0 6-Formaldehydecoumarin51690-26-7 Lawsone83-72-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook