2-(4-Bromobutyl)-1H-isoindole-1,3(2H)-dione

C12H12BrNO2CAS 5394-18-3282.14 g/mol

Open in Covalent MOL file
OONBr
Alkyl halideAmideLactam

Properties

Molecular formula
C12H12BrNO2
Molar mass
282.14 g/mol
Exact mass
281.0051 Da
Melting point
80–81 °C
logP
2.46Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
5394-18-3
SMILES
O=C1c2ccccc2C(=O)N1CCCCBr
InChIKey
UXFWTIGUWHJKDD-UHFFFAOYSA-N
InChI
InChI=1S/C12H12BrNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8H2

Weigh it out

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

Names and synonyms

10 names
  • 1H-Isoindole-1,3(2H)-dione, 2-(4-bromobutyl)-
  • Phthalimide, N-(4-bromobutyl)-
  • N-(4-Bromobutyl)phthalimide
  • 1-Phthalimido-4-bromobutane
  • 4-Bromobutylphthalimide
  • 2-(4-Bromobutyl)phthalimide
  • 2-(4-Bromobutyl)isoindole-1,3-dione
  • NSC 575
  • 2-(4-Bromobutyl)isoindoline-1,3-dione
  • 2-(4-Bromobutyl)-2,3-dihydro-1H-isoindole-1,3-dione

Work with 2-(4-Bromobutyl)-1H-isoindole-1,3(2H)-dione

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

N-(6-Bromohexyl)phthalimide24566-79-896 % similar N-(10-Bromodec-1-yl)phthalimide24566-80-196 % similar N-(5-Bromopentyl)phthalimide954-81-496 % similar N-(3-Bromopropyl)phthalimide5460-29-793 % similar N-(2-Bromoethyl)phthalimide574-98-179 % similar N-(Bromomethyl)phthalimide5332-26-367 % similar N-Butylphthalimide1515-72-664 % similar 2-(3-Hydroxypropyl)-1H-isoindole-1,3(2H)-dione883-44-364 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-1H-indole-3-butanoic acid13993-31-2

Elsewhere

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