CAS 919346-89-7 5-Bromo-2,3-dihydro-1H-isoindole--hydrogen chloride (1/1) (HCID 49853471)

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Basic information

CAS: 919346-89-7
Standard SMILES: Brc1ccc2c(c1)CNC2.Cl
InChIKey: GDMXNYRWVLBUDZ-UHFFFAOYSA-N
Molecular formula: C8H9BrClN
Average molar mass: 234.524 g/mol
Monoisotopic mass: 232.96068907

Names & identifiers

Preferred name: 5-Bromo-2,3-dihydro-1H-isoindole--hydrogen chloride (1/1)
IUPAC: 5-Bromo-2,3-dihydro-1H-isoindole--hydrogen chloride (1/1)
English name: 5-Bromo-2,3-dihydro-1H-isoindole hydrochloride
Molecular formula: C8H9BrClN
Molecular weight: 234.52

Names & synonyms

5-bromoisoindoline HCl salt5-Bromo-isoindoline hydrochloride5-Bromo-2,3-dihydro-1H-isoindole HClEthanol,2-[2-(4-piperazinyl)ethoxy]-5-Bromoisoindoline hydrochloride 97%5-BroMoisoindoline hydrochloride (1:1)5-Bromo-2,3-dihydro-1H-isoindole hydrochloride5-Bromo-2,3-dihydro-1H-Isoindole HydrochlorideY1H-Isoindole, 5-bromo-2,3-dihydro-, hydrochloride5-bromo-2,3-dihydro-1H-Isoindole hydrochloride (1:1)

Database identifiers

CAS: 919346-89-7
PubChem CID: 49853471
DTXSID: DTXSID60678764
EC Number: 823-543-2

Properties

Physicochemical properties

Melting point: 246 oC · >246oC (dec.)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
color: Pale Red
InChI: InChI=1S/C8H8BrN.ClH/c9-8-2-1-6-4-10-5-7(6)3-8;/h1-3,10H,4-5H2;1H
InChIKey: GDMXNYRWVLBUDZ-UHFFFAOYSA-N
SMILES: BrC1=CC=C2CNCC2=C1.Cl
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338-P310
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications · 1 item

Uses5-Bromoisoindoline Hydrochloride acts as a reagent in the preparation of cyanopyrrolidines as DUB inhibitors for the treatment of cancer, preparation of oxazolidinone containing fused ring as antibiotics, preparation of novel indolecarboxamides as IKK2 inhibitors. Also a derivative salt of 5-Bromoisoindoline Hydrochloride (B683270), which is an intermediate used in the synthesis of 2,3-dihydro-1H-isoindoles with high affinity and selectivity for dopamine D3 receptor.