4-Methylphthalic anhydride

C₉H₆O₃CAS 19438-61-0162.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆O₃
Molar mass: 162.14 g/mol
Exact mass: 162.0317 Da
Melting point: 93 °C
Boiling point: 299 °C
logP: 1.31Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

19438-61-0

SMILES

Cc1ccc2c(c1)C(=O)OC2=O

InChIKey

ZOXBWJMCXHTKNU-UHFFFAOYSA-N

InChI

InChI=1S/C9H6O3/c1-5-2-3-6-7(4-5)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, 5-methyl-
Phthalic anhydride, 4-methyl-
5-Methyl-1,3-isobenzofurandione
4-Methylphthalic acid anhydride
5-Methylisobenzofuran-1,3-dione
5-Methyl-2-benzofuran-1,3-dione

Work with 4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone2420-87-361 % similar 4,4'-Oxydiphthalic anhydride1823-59-257 % similar 4-Chlorophthalic anhydride118-45-655 % similar 4,4'-(1,4-Phenylenedioxy)bisphthalic Anhydride17828-53-455 % similar 4,4'-Carbonyldiphthalic anhydride2421-28-555 % similar 4-Hydroxyphthalic anhydride27550-59-055 % similar 4-Fluorophthalic anhydride319-03-955 % similar 4-Bromophthalic anhydride86-90-855 % similar

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

Same formula

4-Hydroxycoumarin1076-38-6 4-Benzofurancarboxylic acid166599-84-4 1,3,5-Benzenetricarboxaldehyde3163-76-6 3-Methylphthalic anhydride4792-30-7 2-Benzofurancarboxylic acid496-41-3 6-Hydroxycoumarin6093-68-1 Homophthalic anhydride703-59-3 1-Benzofuran-6-carboxylic acid77095-51-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook