ChemicalBook--->CAS DataBase List--->1780644-81-6

1780644-81-6

1780644-81-6 Structure

1780644-81-6 Structure
IdentificationBack Directory
[Name]

3-bromo-5-(tert-butyl)benzo[b]thiophene
[CAS]

1780644-81-6
[Synonyms]

3-bromo-5-(tert-butyl)benzo[b]thiophene
3-?bromo-?5-?tert-?butyl-?1-?benzothiophene
Benzo[b]thiophene, 3-bromo-5-(1,1-dimethylethyl)-
[Molecular Formula]

C12H13BrS
[MDL Number]

MFCD28593666
[MOL File]

1780644-81-6.mol
[Molecular Weight]

269.2
Chemical PropertiesBack Directory
[Boiling point ]

327.7±22.0 °C(Predicted)
[density ]

1.374±0.06 g/cm3(Predicted)
[InChI]

InChI=1S/C12H13BrS/c1-12(2,3)8-4-5-11-9(6-8)10(13)7-14-11/h4-7H,1-3H3
[InChIKey]

TUVDJRXZHABERX-UHFFFAOYSA-N
[SMILES]

C12=CC=C(C(C)(C)C)C=C1C(Br)=CS2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Uses]

3-bromo-5-(tert-butyl)benzo[b]thiophene is an important organic reagent that can be used as a building block for the synthesis of many organic compounds, such as 5-(1,1-dimethylethyl)-N-[4-(1,1-dimethylethyl)phenyl]-Benzo[b]thiophen-3-amine and so on.
Spectrum DetailBack Directory
[Spectrum Detail]

3-bromo-5-(tert-butyl)benzo[b]thiophene(1780644-81-6)1HNMR
3-bromo-5-(tert-butyl)benzo[b]thiophene(1780644-81-6)13CNMR
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