5-Bromophthalide
Properties
- Molecular formula
- C8H5BrO2
- Molar mass
- 213.03 g/mol
- Exact mass
- 211.9473 Da
- Melting point
- 98 °C
- logP
- 2.12Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 3 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
64169-34-2SMILES
O=C1OCc2cc(Br)ccc21InChIKey
IUSPXLCLQIZFHL-UHFFFAOYSA-NInChI
InChI=1S/C8H5BrO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 1(3H)-Isobenzofuranone, 5-bromo-
- 5-Bromo-1(3H)-isobenzofuranone
- 5-Bromoisobenzofuran-1(3H)-one
- 5-Bromo-2-benzofuran-1(3H)-one
- 5-Bromo-3H-isobenzofuran-1-one
Work with 5-Bromophthalide
Similar compounds
5-Hydroxyphthalide55104-35-365 % similar
5-Aminophthalide65399-05-560 % similar
Methyl 4-bromo-2-(bromomethyl)benzoate78471-43-956 % similar
Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate23405-32-555 % similar
1,3-Dihydro-1-oxoisobenzofuran-5-carboxylic acid4792-29-455 % similar
1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile82104-74-355 % similar
Phthalide87-41-255 % similar
5-Phenoxy-1(3H)-isobenzofuranone57830-14-554 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.