Phthalic anhydride
Properties
- Molecular formula
- C8H4O3
- Molar mass
- 148.12 g/mol
- Exact mass
- 148.0160 Da
- Density
- 1.53 g/mL
- Melting point
- 130.8 °C
- Boiling point
- 295 °C
- Water solubility
- 6 g/L (25 °C)
- logP
- 1.00Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H315 Causes skin irritationSkin corrosion/irritation
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaledSensitization, respiratory
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
Harmonised EU classification (CLP Annex VI, index 607-009-00-4), via PubChem.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
85-44-9SMILES
O=C1OC(=O)c2ccccc21InChIKey
LGRFSURHDFAFJT-UHFFFAOYSA-NInChI
InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
23 names · show all
- 1,3-Isobenzofurandione
- ESEN
- Phthalandione
- 1,3-Phthalandione
- Phthalic acid anhydride
- Retarder AK
- Retarder ESEN
- Retarder PD
- 1,2-Benzenedicarboxylic anhydride
- Vulkalent B/C
- TGL 6525
- Araldite HT 901
- HT 901
- Phthalanhydride
- Sconoc 7
- Retarder B-C
- NSC 10431
- Sconoc 5
- 2-Benzofuran-1,3-dione
- Rikacid PA
- OP 392
- ADP 1200
- 1,3-Dihydro-2-benzofuran-1,3-dione
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 85-44-9. Each row opens the sheet with its composition and PDF.
Work with Phthalic 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
2,3-Naphthalenedicarboxylic anhydride716-39-265 % similar
1,8-Naphthalic anhydride81-84-563 % similar
Naphthalenetetracarboxylic dianhydride81-30-162 % similar
Dimethyl phthalate131-11-361 % similar
Benzoic anhydride93-97-059 % similar
5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone2420-87-358 % similar
Diphenyl phthalate84-62-858 % similar
Benzylidenephthalide575-61-157 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.