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13618-91-2

Basic Information
CAS No.: 13618-91-2
Name: 4,5,6,7-TETRAHYDROINDOLE
Article Data: 10
Molecular Structure:
Molecular Structure of 13618-91-2 (4,5,6,7-TETRAHYDROINDOLE)
Formula: C8H11N
Molecular Weight: 121.182
Synonyms: Indole,4,5,6,7-tetrahydro- (6CI,8CI);2,3-Tetramethylenepyrrole;4,5,6,7-Tetrahydro-1H-indole;4,5,6,7-Tetrahydroindole;Cyclohex[b]pyrrole;NSC122455;
Density: 1.057g/cm3
Melting Point: 53-57 °C(lit.)
Boiling Point: 253.3 °C at 760 mmHg
Flash Point: 101.4 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 15.79000
LogP: 1.89350
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    Hebei Ruishun Trade Co.,Ltd registered capital one million, we have a production of pharmaceutical raw materials, pharmaceutical raw materials factory reagent r&d center, we do

  • Hebei Ruishun Trade Co.,Ltd

    China (Mainland)  |  Contact Details

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    Tel:+86-311-68037669

    Address:WanDa commerce building ,yuhua district

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  • 4,5,6,7-TETRAHYDRO-1H-INDOLE

  • Casno:

    13618-91-2

    4,5,6,7-TETRAHYDRO-1H-INDOLE

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Known for its best quality and competitve price, this chemicals we offered is widely appreciated by our customers.Appearance:yellow to white solid Storage:keep sealed and keep from direct light Package:According client's requirements Application:Phar

    Jinan YSPharma Biotechnology Co., Ltd is a large group specializing in contract manufacturing to the pharmaceutical, agrochemical and Fine chemicals with top quality products and s

  • coolpharm Ltd

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    Business Type:Other

    Tel:86-531-8233381 86-18678657237

    Address:Room 302,Building 1,Union Fortune Square, No. 2117,Tianchen Road,High-tech Zone,Jinan,Shandong,China

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  • 4,5,6,7-Tetrahydroindole

  • Casno:

    13618-91-2

    4,5,6,7-Tetrahydroindole

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    High quality Application:Pharmaceutial

    Chamflyer Chemicals Co.Ltd is a fine organics manufacturing facility which located in Shanghai. We produce a wide range of boronic acids, pyridines, quinolines, indoles, oxazoles,

  • Shanghai chamflyer chemicals Co., Ltd

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    Address:No 38 Debao Road, Pudong New District, Shanghai

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  • 1H-Indole,4,5,6,7-tetrahydro-

  • Casno:

    13618-91-2

    1H-Indole,4,5,6,7-tetrahydro-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Manufacturer,strong R&D,professional team Storage:Store in a cool, dry place. Store in a tightly closed container. Package:according to your requirement Application:ZhiShang Chemical is owned by ZhiShang Group, is a professional new-type chemicals en

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Specification

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