4-Bromophthalic anhydride

C₈H₃BrO₃CAS 86-90-8227.01 g/mol

Open in Covalent MOL file

Acid anhydride Aryl halide

Properties

Molecular formula: C₈H₃BrO₃
Molar mass: 227.01 g/mol
Exact mass: 225.9266 Da
Melting point: 107 °C
Boiling point: 305–309 °C
logP: 1.76Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

86-90-8

SMILES

O=C1OC(=O)c2cc(Br)ccc21

InChIKey

BCKVHOUUJMYIAN-UHFFFAOYSA-N

InChI

InChI=1S/C8H3BrO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H

Weigh it out

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

Names and synonyms

7 names

1,3-Isobenzofurandione, 5-bromo-
Phthalic anhydride, 4-bromo-
5-Bromo-1,3-isobenzofurandione
5-Bromoisobenzofuran-1,3-dione
5-Bromophthalic acid anhydride
5-Bromo-2-benzofuran-1,3-dione
5-Bromo-1,3-dihydro-2-benzofuran-1,3-dione

Work with 4-Bromophthalic 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

Bpda2420-87-361 % similar 4,4′-Oxydiphthalic anhydride1823-59-257 % similar 4-Chlorophthalic anhydride118-45-655 % similar 4-Methylphthalic anhydride19438-61-055 % similar Benzophenonetetracarboxylic dianhydride2421-28-555 % similar 4-Fluorophthalic anhydride319-03-955 % similar 5-Bromophthalide64169-34-253 % similar Naphthalenetetracarboxylic dianhydride81-30-152 % similar

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

Elsewhere

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