4-Bromophthalimide

C₈H₄BrNO₂CAS 6941-75-9226.03 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₈H₄BrNO₂
Molar mass: 226.03 g/mol
Exact mass: 224.9425 Da
logP: 1.33Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

6941-75-9

SMILES

C1=CC2=C(C=C1Br)C(=O)NC2=O

InChIKey

GNYICZVGHULCHE-UHFFFAOYSA-N

InChI

InChI=1S/C8H4BrNO2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,(H,10,11,12)

Weigh it out

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

Work with 4-Bromophthalimide

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

2,6-Dibromoanthraquinone633-70-555 % similar 4-Chloro-phthalimide7147-90-255 % similar 5-Bromo-2,3-dihydro-isoindol-1-one552330-86-653 % similar 6-Bromo-2,3-dihydro-1H-isoindol-1-one675109-26-953 % similar 6-Bromo-3,4-dihydro-2H-isoquinolin-1-one147497-32-350 % similar 2-Bromoanthraquinone572-83-850 % similar 4-Bromophthalic acid6968-28-150 % similar 4-Bromophthalic anhydride86-90-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromoisatin20780-72-7 7-Bromoisatin20780-74-9 N-Bromophthalimide2439-85-2 6-Bromoisatin6326-79-0 5-Bromoisatin87-48-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook