3-Methylphthalic anhydride

C₉H₆O₃CAS 4792-30-7162.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆O₃
Molar mass: 162.14 g/mol
Exact mass: 162.0317 Da
Melting point: 114.5–117 °C
Boiling point: 125 °C (at 0.4 Torr)
logP: 1.31Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction14.3% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled14.3% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

4792-30-7

SMILES

Cc1cccc2c1C(=O)OC2=O

InChIKey

TWWAWPHAOPTQEU-UHFFFAOYSA-N

InChI

InChI=1S/C9H6O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names

1,3-Isobenzofurandione, 4-methyl-
Phthalic anhydride, 3-methyl-
4-Methyl-1,3-isobenzofurandione
2,3-Toluenedicarboxylic anhydride
NSC 61875
3-Methylphthalicacidanhydride

Work with 3-Methylphthalic 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

3-Iodophthalic anhydride28418-88-463 % similar 3-Chlorophthalic anhydride117-21-559 % similar 3-Hydroxyphthalic anhydride37418-88-558 % similar 3-Fluorophthalic anhydride652-39-158 % similar 1,3-Dioxo-2-isoindolineaceticacid6296-53-357 % similar 2-Methyl-6-nitrobenzoic anhydride434935-69-055 % similar Phthalic anhydride85-44-954 % similar 2,3′,3,4′-Biphenyltetracarboxylic dianhydride36978-41-350 % similar

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

Same formula

4-Hydroxycoumarin1076-38-6 4-Benzofurancarboxylic acid166599-84-4 4-Methylphthalic anhydride19438-61-0 1,3,5-Benzenetricarboxaldehyde3163-76-6 2-Benzofurancarboxylic acid496-41-3 6-Hydroxycoumarin6093-68-1 Homophthalic anhydride703-59-3 1-Benzofuran-6-carboxylic acid77095-51-3

Elsewhere

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