17680-55-6

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17680-55-6 Structure

Identification	Back Directory
[Name] 7-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
[CAS] 17680-55-6
[Synonyms] B90106 CHEMBRDG-BB 4002740 7-Bromo-1,2,3,4-tetrahydroisoquinoL 7-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE Isoquinoline, 7-bromo-1,2,3,4-tetrahydro- 7-BroMo-1,2,3,4-tetrahydroisoquinoline, 97%, 97% 7-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE ISO 9001：2015 REACH
[EINECS(EC#)] -0
[Molecular Formula] C9H10BrN
[MDL Number] MFCD06739047
[MOL File] 17680-55-6.mol
[Molecular Weight] 212.09

Chemical Properties	Back Directory
[Melting point ] 32-35°C
[Boiling point ] 282.9±40.0 °C(Predicted)
[density ] 1.428±0.06 g/cm3(Predicted)
[storage temp. ] Keep in dark place,Sealed in dry,2-8°C
[form ] solid
[pka] 9.14±0.20(Predicted)
[color ] White
[Water Solubility ] Insoluble in water.
[InChI] InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
[InChIKey] OYODEQFZAJVROF-UHFFFAOYSA-N
[SMILES] C1C2=C(C=CC(Br)=C2)CCN1

Raw materials And Preparation Products	Back Directory
[Raw materials] Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Methanol-->Diethyl ether-->Sulfuric acid-->Tetrahydrofuran-->Dichloromethane-->Acetic acid-->Potassium carbonate-->Sodium sulfate-->Magnesium sulfate-->Sodium chloride-->Sodium bicarbonate-->Lithium Aluminum Hydride-->Trifluoroacetic anhydride-->Paraformaldehyde-->2,6-Lutidine-->4-Bromophenylacetonitrile

Hazard Information	Back Directory
[Uses] 7-Bromo-1,2,3,4-tetrahydroisoquinoline is used as a pharmaceutical intermediate.
[Synthesis Reference(s)] The Journal of Organic Chemistry, 63, p. 4116, 1998 DOI: 10.1021/jo972184e

Spectrum Detail	Back Directory
[Spectrum Detail] 7-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE(17680-55-6)¹HNMR

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