| Identification | Back 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 Properties | Back 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 | [InChI]
1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2/t8-,9+/m1/s1 | [InChIKey]
POTIYWUALSJREP-BDAKNGLRSA-N | [SMILES]
C1CC[C@@H]2NCCC[C@H]2C1 | [EPA Substance Registry System]
trans-Decahydroquinoline (767-92-0) |
| Safety Data | Back 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 | [TSCA ]
TSCA listed | [HS Code ]
2933998090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back 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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| Company Name: |
J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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Sigma-Aldrich
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021-61415566 800-8193336 |
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https://www.sigmaaldrich.cn |
| Company Name: |
Rhawn Reagent
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400-400-1332688 18019345275 |
| Website: |
http://www.rhawn.cn |
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