3D Mol Similar

6-Methoxyindole

Iupac Name：6-methoxy-1H-indole

CAS No.: 3189-13-7

Molecular Weight：147.177

Modify Date.: 2022-11-29 10:56

Introduction:

white shiny crystals

View more+

Request For Quotation

1. Names and Identifiers

1.1 Name: 6-Methoxyindole
1.2 Synonyms: 1H-INDOL-6-YL METHYL ETHER 1H-Indole, 6-methoxy- 6-(Methyloxy)-1H-indole 6-Methoxy-1H-indole 6-methoxy-1H-indole(SALTDATA: FREE) Indole, 6-methoxy- NSC 92517

1.3 CAS No.: 3189-13-7

1.4 CID: 76659

1.5 EINECS(EC#): 221-689-6

1.6 Molecular Formula: C9H9NO (isomer)

1.7 Inchi: InChI=1S/C9H9NO/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3

1.8 InChkey: QJRWYBIKLXNYLF-UHFFFAOYSA-N

1.9 Canonical Smiles: COC1=CC2=C(C=C1)C=CN2

1.10 Isomers Smiles: COC1=CC2=C(C=C1)C=CN2

2. Properties

2.1 Density: 1.169

2.1 Melting point: 90-94℃

2.1 Boiling point: 297.8 °C at 760 mmHg

2.1 Refractive index: 1.637 (Predicted)

2.1 Flash Point: 109.2 °C

2.1 Precise Quality: 147.06800

2.1 PSA: 25.02000

2.1 logP: 2.17650

2.1 Appearance: White crystalline powder

2.2 Storage: Light Sensitive. Ambient temperatures.

2.3 Chemical Properties: white shiny crystals

2.4 Color/Form: Light-red to Brown Solid

2.5 pKa: 17.22±0.30(Predicted)

2.6 Water Solubility: 15.3 [ug/mL]

2.7 StorageTemp: Keep Cold

3. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Risk Statements: R36/37/38

3.1 Safety Statements: S26;S36

3.1 Hazard Declaration: H315-H319-H335

3.1 RIDADR: NONH for all modes of transport

3.1 Caution Statement: P261-P305 + P351 + P338

3.1 WGK Germany: 3

3.1 Sensitive: Light Sensitive

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

5. NMR Spectrum

Mass spectrum (electron ionization)

6. Synthesis Route

3189-13-7Total: 3 Synthesis Route

34158-98-0

3189-13-7 230 Suppliers

4837-90-5 180 Suppliers

Literatures:
Suvorov, N. N.; Shkil'kova, V. N.; Podkhalyuzina, N. Ya. Journal of Organic Chemistry USSR (English Translation), 1983 , p. 2117 - 2120 Zhurnal Organicheskoi Khimii, 1983 , vol. 19, # 11 p. 2420 - 2423
Yield: ~83%

75934-38-2

3189-13-7 230 Suppliers

4837-90-5 180 Suppliers

Literatures:
Nordlander, J. Eric; Catalane, David B.; Kotian, Kirtivan D.; Stevens, Randall M.; Haky, Jerome E. Journal of Organic Chemistry, 1981 , vol. 46, p. 778 - 782
Yield: null

105896-37-5

3189-13-7 230 Suppliers

4837-90-5 180 Suppliers

Literatures:
Baudin, Jean-Bernard; Julia, Sylvestre A. Tetrahedron Letters, 1986 , vol. 27, # 7 p. 837 - 840
Yield: ~4%

7. Computational chemical data

Molecular Weight: 147.177g/mol
Molecular Formula: C₉H₉NO
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 147.068413911
Monoisotopic Mass: 147.068413911
Complexity: 138
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 25
Heavy Atom Count: 11
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccByIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQAAAADAzBngY+xvLJlACgAzRnRACCiCAxIiAI2aA+bJgMJuLEsZuEMChm0BnI6AeQ0IMOIAAAAgACAABAAAAEAAQAAAAAAAAAAA==

8. Recommended Suppliers

Global227SuppliersView all >>

Wuhan Fortuna Chemical Co., Ltd. Diamond member

-113YR

Products:API,fine chemical&its intermediates,biological chemistry
Tel:0086-27-59207850
Email:info@fortunachem.com

6-Methylindole CAS 3189-13-7

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/kg
Time: 2023/06/02

Inquire

Dayang Chem (Hangzhou) Co., Ltd. Diamond member

-111YR

Products:Chemical products
Tel:86-571-88938639
Email:sales-gc@dycnchem.com

6-Methoxyindole

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2023/06/02

Inquire

Hebei Crovell Biotech Co. Ltd Diamond member

-120YR

Products:Cosmetic Raw Materials,solvents,etc.
Tel:86-311-66562153
Email:spring@crovellbio.com

6-Methoxyindole

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2023/06/02

Inquire

Jinlan Pharm-Drugs Technology Co., Limited Diamond member

-112YR

Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
Tel:86-571-85829052
Email:market@royalpharms.com

6-Methoxyindole

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/kilogram
Time: 2023/05/31

Inquire

Hangzhou ZeErRui Chemical Co., Ltd. Diamond member

-121YR

Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
Tel:+86-571-82512721
Email:sales@zeerrui.com

6-Methoxyindole

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2023/06/02

Inquire

9. Realated Product Infomation

1006-94-6 5-Methoxyindole

4837-90-5 4-Methoxyindole

54698-11-2 1-methoxyindole

10601-19-1 5-Methoxyindole-3-carboxaldehyde

90734-97-7 4-Methoxyindole-3-carboxaldehyde

2436-17-1 5-Methoxyindole-3-acetonitrile

99275-47-5 1-BOC-5-METHOXYINDOLE

Recently Updated : 2757008-47-0 2757153-15-2 2757248-24-9 2757334-01-1 2757334-04-4 2757449-03-7 132771-11-0 2757586-77-7 2757656-11-2 2757691-89-5