N-(2-Bromoethyl)phthalimide

C₁₀H₈BrNO₂CAS 574-98-1254.08 g/mol

Open in Covalent MOL file

Alkyl halide Amide Lactam

Properties

Molecular formula: C₁₀H₈BrNO₂
Molar mass: 254.08 g/mol
Exact mass: 252.9738 Da
Melting point: 82.5 °C
Boiling point: 167 °C (at 6 Torr)
logP: 1.68Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% 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

574-98-1

SMILES

O=C1c2ccccc2C(=O)N1CCBr

InChIKey

CHZXTOCAICMPQR-UHFFFAOYSA-N

InChI

InChI=1S/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

13 names · show all

1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-
Phthalimide, N-(2-bromoethyl)-
2-(2-Bromoethyl)-1H-isoindole-1,3(2H)-dione
β-Phthalimidoethyl bromide
N-(β-Bromoethyl)phthalimide
1-Bromo-2-phthalimidoethane
2-(2-Bromoethyl)phthalimide
2-Phthalimidoethyl bromide
2-(2-Bromoethyl)isoindole-1,3-dione
NSC 2688
2-(2-Bromoethyl)isoindoline-1,3-dione
2-(2-Bromoethyl)-2,3-dihydro-1H-isoindole-1,3-dione
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl bromide

Reactions

β-BROMOETHYLPHTHALIMIDE (Phthalimide, N-(2-bromoethyl)-)product

Work with N-(2-Bromoethyl)phthalimide

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-(4-Bromobutyl)-1H-isoindole-1,3(2H)-dione5394-18-379 % similar N-(3-Bromopropyl)phthalimide5460-29-779 % similar N-(Bromomethyl)phthalimide5332-26-371 % similar N-(2-Hydroxyethyl)phthalimide3891-07-461 % similar N-Butylphthalimide1515-72-658 % similar 3-Phthalimidopropionaldehyde2436-29-558 % similar 2-(3-Hydroxypropyl)-1H-isoindole-1,3(2H)-dione883-44-358 % similar 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-657 % similar

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

Same formula

Methyl 6-bromoindole-4-carboxylate107650-22-6 N-Acetyl-5-bromo-3-hydroxyindole114165-30-9 5-Bromindoxyl acetate17357-14-1 (5-Bromo-1H-indol-3-yl)acetic acid40432-84-6

Elsewhere

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