4,5,6,7-TETRAHYDROINDOLE

The 1H-Indole,4,5,6,7-tetrahydro-, with CAS registry number 13618-91-2, belongs to the following product categories: (1)Building Blocks; (2)Heterocyclic Building Blocks; (3)Indoles. It has the systematic name of 4,5,6,7-tetrahydro-1H-indole. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C₈H₁₁N.

Physical properties of 1H-Indole,4,5,6,7-tetrahydro-: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 41.79; (6)ACD/BCF (pH 7.4): 41.79; (7)ACD/KOC (pH 5.5): 503.42; (8)ACD/KOC (pH 7.4): 503.48; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 4.93 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 37.47 cm³; (15)Molar Volume: 114.5 cm³; (16)Polarizability: 14.85×10^-24cm³; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.057 g/cm³; (19)Flash Point: 101.4 °C; (20)Enthalpy of Vaporization: 47.09 kJ/mol; (21)Boiling Point: 253.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0293 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,4,5,6-tetrahydro-indol-7-one. This reaction will need reagent LiAlH₄ and solvent tetrahydrofuran. The reaction time is 3 hour(s). The yield is about 88%.

Uses of 1H-Indole,4,5,6,7-tetrahydro-: it can be used to produce indole. This reaction will need reagent hydrogen. The reaction temperature is 370 ℃. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
The 1H-Indole,4,5,6,7-tetrahydro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c12c(ccn1)CCCC2
(2)InChI: InChI=1/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H2
(3)InChIKey: KQBVVLOYXDVATK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H11N/c1-2-4-8-7(3-1)5-6-9-8/h5-6,9H,1-4H2
(5)Std. InChIKey: KQBVVLOYXDVATK-UHFFFAOYSA-N