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767-92-0

767-92-0 Structure

767-92-0 Structure
IdentificationBack Directory
[Name]

TRANS-DECAHYDROQUINOLINE
[CAS]

767-92-0
[Synonyms]

trans-quinolin
TRANS-DECAHYDROQUINOLINE
quinoline,decahydro-,trans-
trans-Decahydroquinoline
(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
[EINECS(EC#)]

212-189-9
[Molecular Formula]

C9H17N
[MDL Number]

MFCD00137755
[MOL File]

767-92-0.mol
[Molecular Weight]

139.24
Chemical PropertiesBack Directory
[Melting point ]

48 °C
[Boiling point ]

203 °C / 735mmHg
[density ]

0.9214 (rough estimate)
[refractive index ]

1.4920 (estimate)
[Fp ]

72℃
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

10.85±0.10(Predicted)
[color ]

White to Light yellow to Light orange
[EPA Substance Registry System]

trans-Decahydroquinoline (767-92-0)
Safety DataBack Directory
[Hazard Codes ]

Xn,N
[Risk Statements ]

36/37/38-51/53-22
[Safety Statements ]

26-36-61
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-DECAHYDROQUINOLINE(767-92-0)MS
TRANS-DECAHYDROQUINOLINE(767-92-0)IR1
TRANS-DECAHYDROQUINOLINE(767-92-0)IR2
Hazard InformationBack Directory
[Purification Methods]

The lower boiling fraction from the preceding spinning band column fractionation of the commercial cis-trans-mixture (~ 20:60; see the cis-isomer above) solidifies readily (m 48o), and the receiver has to be kept hot with warm water. It is further purified by conversion to the hydrochloride m 285-286o after recrystallisation from EtOH/AcOEt. This has IR (KBr) 2920, 2760, 2578, 2520, 1580, 1455, 1070, 1050, 975, 950, 833 cm-1 .max The free base is prepared as for the cis-isomer above and distilled; and has IR (film, at ca 50o) 2905, 2840, max 2780, 1447, 1335, 1305, 1240, 1177, 1125, 987, 900, 835 cm-1 . The 1HNMR in CDCl3 is characteristically different from that of the cis-isomer. [Armarego J Chem Soc (C) 377 1967, Hückel & Stepf Justus Liebigs Ann Chem 453 163 1927, Bailey & McElvain J Am Chem Soc 52 4013 1930, Prelog & Szpilfogel Helv Chim Acta 28 1684 1945, Beilstein 20 H 157, 20 I 35, 20 II 72-73, 20 III/IV 2017.]
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