ChemicalBook--->CAS DataBase List--->127168-84-7

127168-84-7

127168-84-7 Structure

127168-84-7 Structure
IdentificationBack Directory
[Name]

5-BROMOISOINDOLINE
[CAS]

127168-84-7
[Synonyms]

B90104
5-BROMOISOINDOLINE
5-BroMoisoindoline HCl
5-Bromo-2,3-dihydro-1H-isoindole
1H-Isoindole, 5-bromo-2,3-dihydro-
[Molecular Formula]

C8H8BrN
[MDL Number]

MFCD08234718
[MOL File]

127168-84-7.mol
[Molecular Weight]

198.06
Chemical PropertiesBack Directory
[Boiling point ]

253.4±40.0 °C(Predicted)
[density ]

1.514±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

solid
[pka]

8.60±0.20(Predicted)
[Appearance]

White to pink Solid
[InChI]

1S/C8H8BrN/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5H2
[InChIKey]

KJCXRORGYAHAAH-UHFFFAOYSA-N
[SMILES]

Brc1ccc2CNCc2c1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H315-H302
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
[WGK Germany ]

WGK 3
[Storage Class]

13 - Non Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Isoindoline-5-carbonitrile
Hazard InformationBack Directory
[Uses]

5-Bromoisoindoline is an intermediate used in the synthesis of 2,3-dihydro-1H-isoindoles with high affinity and selectivity for dopamine D3 receptor.
Spectrum DetailBack Directory
[Spectrum Detail]

5-BROMOISOINDOLINE(127168-84-7)1HNMR
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