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2744-09-4

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2744-09-4 Structure

2744-09-4 Structure
IdentificationBack Directory
[Name]

TRANS-DECAHYDROISOQUINOLINE
[CAS]

2744-09-4
[Synonyms]

TRANS-DECAHYDROISOQUINOLINE
(4aR,8aS)-Decahydroisoquinoline
2-bromo-6-phenylsulfonylbenzoic acid
2-bromo-6-phenylsulfonyl-benzoic acid
[Molecular Formula]

C9H17N
[MDL Number]

MFCD00075406
[MOL File]

2744-09-4.mol
[Molecular Weight]

139.24
Chemical PropertiesBack Directory
[Boiling point ]

87 °C / 12mmHg
[density ]

0,93 g/cm3
[pka]

11.84±0.20(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-DECAHYDROISOQUINOLINE(2744-09-4)MS
TRANS-DECAHYDROISOQUINOLINE(2744-09-4)1HNMR
TRANS-DECAHYDROISOQUINOLINE(2744-09-4)13CNMR
Hazard InformationBack Directory
[Purification Methods]

This is purified as the cis-isomer above. The trans-picrate has m 175-176o, and the trans-hydrochloride has m 221-222o and has IR (KBr) 2930, 3800, 1589, 1450, 1400, 1070, 952, 837 cm-1 . The pure free base is prepared as above max and had IR (film) 2920, 2820, 2720, 2560, 1584, 1470, 1445, 1415, 1395, 1315, 1300, 1135, 1080, 1020, 990, 873 cm. The 1HNMR in CDCl3 is characteristically different from that of the cis-isomer. (references as above and Helfer Helv Chim Acta 9 818 1926). [Beilstein 20 II 73, 20 III/IV 2026.]
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