4-Bromophthalic anhydride
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 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed33.3% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H317 May cause an allergic skin reaction33.3% of notifiers
- H318 Causes serious eye damage16.7% of notifiers
- H319 Causes serious eye irritation83.3% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled16.7% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 6 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
86-90-8SMILES
O=C1OC(=O)c2cc(Br)ccc21InChIKey
BCKVHOUUJMYIAN-UHFFFAOYSA-NInChI
InChI=1S/C8H3BrO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3HWeigh 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
5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone2420-87-361 % similar
4-Hydroxyphthalic anhydride27550-59-060 % similar
4,4'-Oxydiphthalic anhydride1823-59-257 % similar
2,6-Dibromoanthraquinone633-70-555 % similar
4-Chlorophthalic anhydride118-45-655 % similar
4,4'-(1,4-Phenylenedioxy)bisphthalic Anhydride17828-53-455 % similar
4-Methylphthalic anhydride19438-61-055 % similar
4,4'-Carbonyldiphthalic anhydride2421-28-555 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.