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Basic Information
CAS No.: 84807-26-1
Name: 4-Nitro-2,3-dihydro-1H-indole
Molecular Structure:
Molecular Structure of 84807-26-1 (4-Nitro-2,3-dihydro-1H-indole)
Formula: C8H8N2O2
Molecular Weight: 164.164
Synonyms: 4-Nitroindoline;
Density: 1.299 g/cm3
Melting Point: 185-186 °C
Boiling Point: 307.586 °C at 760 mmHg
Flash Point: 139.823 °C
PSA: 57.85000
LogP: 2.22400
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    Comprehensive range product, High quality, Quick shippment, COA with spectras Package:250mg Application:pharmaceutical industry, food industry, research

    SHANGHAI ZZBIO CO. LTD. is a high-tech enterprise involved in oligosaccharides & polysaccharides, PEG & PEGylation and phytochemicals for customers in pharmaceutical industry, food

  • SHANGHAI ZZBIO CO., LTD.

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    Tel:86-21-68404353-215

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  • 4-nitroindoline

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    84807-26-1

    4-nitroindoline

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    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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  • 4-Nitro-2,3-dihydro-1H-indole

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    84807-26-1

    4-Nitro-2,3-dihydro-1H-indole

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    YUYONGMEI was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu Province with 1200 square meters’ R&D center. Our R&D center has a well-equipped synthetic laboratory a

    YUYONGMEI was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu Province with 1200 square meters’

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    Address:sichuan

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  • 4-Nitroindoline

  • Casno:

    84807-26-1

    4-Nitroindoline

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    high purity Application:Drug intermediates Materials intermediates and active molecules

    Novachemistry offers a broad range of specialty chemicals and customized synthesis services to a range of pharmaceutical, agrochemical and biochemical industries. Novachemistry has

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Specification

The 4-Nitro-2,3-dihydro-1H-indole, with the CAS registry number 84807-26-1, is also known as 4-Nitroindoline. This chemical's molecular formula is C8H8N2O2 and molecular weight is 164.16.

Physical properties of 4-Nitro-2,3-dihydro-1H-indolee are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 262; (8)ACD/KOC (pH 7.4): 264; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.85 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 43.709 cm3; (15)Molar Volume: 126.399 cm3; (16)Polarizability: 17.328×10-24 cm3; (17)Surface Tension: 53.441 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 139.823 °C; (20)Enthalpy of Vaporization: 54.819 kJ/mol; (21)Boiling Point: 307.586 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-(2-chloroethyl)-2,6-dinitrobenzene with heating. This reaction will need reagents conc. HCl, Fe (filings) and solvent ethanol with the reaction time of 2 hours. The yield is about 73%.

Uses of 4-Nitro-2,3-dihydro-1H-indole: it can be used to produce 4-nitro-indole with heating. It will need reagent DDQ and solvent xylene with the reaction time of 2 hours. The yield is about 50%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2NCCc12
(2)InChI: InChI=1/C8H8N2O2/c11-10(12)8-3-1-2-7-6(8)4-5-9-7/h1-3,9H,4-5H2
(3)InChIKey: VTQFDUKXUFJCAO-UHFFFAOYAM