Phthalide

C₈H₂Cl₄O₂CAS 27355-22-2271.90 g/mol

Open in Covalent MOL file

Aryl halide Ester Lactone

Properties

Molecular formula: C₈H₂Cl₄O₂
Molar mass: 271.90 g/mol
Exact mass: 269.8809 Da
Melting point: 209.5 °C
logP: 3.97Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 29 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

27355-22-2

SMILES

O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21

InChIKey

NMWKWBPNKPGATC-UHFFFAOYSA-N

InChI

InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2

Weigh it out

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

Names and synonyms

7 names

1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-
Phthalide, 4,5,6,7-tetrachloro-
4,5,6,7-Tetrachloro-1(3H)-isobenzofuranone
4,5,6,7-Tetrachlorophthalide
Rabcide
Tetrachlorophthalide
Fthalide

Reactions

Phthalideproduct

Work with Phthalide

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

Tetrachlorophthalic anhydride117-08-850 % similar Dimethyl tetrachloroterephthalate1861-32-142 % similar 4,5,6,7-Tetrachloro-2,3-dihydro-1H-indene-1,3-dione30675-13-940 % similar Pentachlorobenzoic acid1012-84-635 % similar Tetrachlorophthalic acid632-58-635 % similar 7-Methoxy-3H-isobenzofuran-1-one28281-58-535 % similar 2,3,5,6-Tetrachloro-1,4-benzenedicarbonyl dichloride719-32-433 % similar 4,5,6,7-Tetrachloro-2-methyl-1H-isoindole-1,3(2H)-dione14737-80-532 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook