Cas no 29906-67-0 (1-Methyl-5-nitro-1H-indole)

1-Methyl-5-nitro-1H-indole is a nitro-substituted indole derivative widely used as an intermediate in organic synthesis and pharmaceutical research. Its key advantages include a stable molecular structure, high purity, and reactivity suitable for further functionalization, making it valuable in the development of heterocyclic compounds. The nitro group at the 5-position enhances its utility in electrophilic substitution and reduction reactions, enabling diverse chemical transformations. This compound is particularly relevant in medicinal chemistry for the synthesis of bioactive molecules. Its well-defined properties ensure consistent performance in research applications, supporting advancements in drug discovery and material science. Proper handling and storage are recommended due to its nitro-functionalized nature.
1-Methyl-5-nitro-1H-indole structure
1-Methyl-5-nitro-1H-indole structure
Product Name:1-Methyl-5-nitro-1H-indole
CAS No:29906-67-0
MF:C9H8N2O2
MW:176.172021865845
MDL:MFCD07772841
CID:53545
PubChem ID:147322
Update Time:2025-06-09

1-Methyl-5-nitro-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-5-nitro-1H-indole
    • 1-methyl-5-nitroindole
    • 1-methyl-5-nitro-indole
    • 5-nitro-1-methylindole
    • 5-nitro-N-methylindole
    • methylnitroindole
    • N-methyl-5-nitroindole
    • 1H-Indole, 1-methyl-5-nitro-
    • KSC496C7F
    • PXBQSCHRKSBGKV-UHFFFAOYSA-N
    • WT82270
    • AS07118
    • EN002821
    • AB1008090
    • AB0050935
    • ST24027130
    • A820102
    • 906M670
    • CS-W021357
    • DTXSID50184021
    • SB36454
    • FT-0687967
    • MFCD07772841
    • 29906-67-0
    • 1-methyl-5-nitro-indole;1-Methyl-5-nitro-1H-indole
    • AKOS006286587
    • J-504971
    • SCHEMBL1098394
    • ME-0069
    • 1-Methyl -5-Nitro Indole
    • CHEMBL165528
    • AMY24391
    • SY031625
    • DB-027436
    • 1-Methyl-5-nitroindole; 5-Nitro-1-methylindole; N-Methyl-5-nitroindole
    • DTXCID60106512
    • MDL： MFCD07772841
    • Inchi： 1S/C9H8N2O2/c1-10-5-4-7-6-8(11(12)13)2-3-9(7)10/h2-6H,1H3
    • InChI Key： PXBQSCHRKSBGKV-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC2=C(C=1)C=CN2C)=O

Computed Properties

  • Exact Mass: 176.05900
  • Monoisotopic Mass: 176.058578
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 214
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.2
  • Topological Polar Surface Area: 50.8

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.1±0.1 g/cm3
  • Melting Point: 167 °C
  • Boiling Point: 339.2°C at 760 mmHg
  • Flash Point: 120.1±9.0 °C
  • Refractive Index: 1.631
  • PSA: 50.75000
  • LogP: 2.60970
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

1-Methyl-5-nitro-1H-indole Security Information

1-Methyl-5-nitro-1H-indole Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-Methyl-5-nitro-1H-indole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M183511-5g
1-Methyl-5-nitro-1H-indole
 29906-67-0 98%
5g
 ￥425.90 2023-09-01
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
M183511-25g
1-Methyl-5-nitro-1H-indole
 29906-67-0 98%
25g
 ￥1724.90 2023-09-01
Alichem
A199003932-25g
1-Methyl-5-nitro-1H-indole
 29906-67-0 97%
25g
 $284.14 2023-09-02
Fluorochem
076555-1g
1-Methyl-5-nitro-1H-indole
 29906-67-0 98%
1g
 ￡18.00 2022-03-01
Fluorochem
076555-5g
1-Methyl-5-nitro-1H-indole
 29906-67-0 98%
5g
 ￡56.00 2022-03-01
Fluorochem
076555-10g
1-Methyl-5-nitro-1H-indole
 29906-67-0 98%
10g
 ￡112.00 2022-03-01
Fluorochem
076555-25g
1-Methyl-5-nitro-1H-indole
 29906-67-0 98%
25g
 ￡202.00 2022-03-01
Chemenu
CM103190-10g
1-Methyl-5-nitro-1H-indole
 29906-67-0 95%+
10g
 $206 2021-08-06
Chemenu
CM103190-25g
1-Methyl-5-nitro-1H-indole
 29906-67-0 95%+
25g
 $411 2021-08-06
TRC
M320970-1g
1-Methyl-5-nitro-1H-indole
 29906-67-0
1g
 $ 81.00 2023-09-07

1-Methyl-5-nitro-1H-indole Production Method

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