5-Methoxyindole - ≥99% , CAS No.1006-94-6

CAS: 1006-94-6 Cat. No.: M111475 Molecular Weight: 147.17 Beilstein Registry Number: 116722 EC Number: 213-745-3
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
M0731 | 5-Methoxy-1H-indole | BDBM50400288 | CHEBI:167807 | AM671 | InChI=1/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H | BCP26682 | 5Methoxyindole | 5-METHOXYINDOLE | 5-methoxy-indole | 5-methoxyindol | 5-Methoxyindole, 99% | Z104507276 | NSC 521752
Storage
Store at 2-8°C
Shipped In
Wet ice
Size
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M111475-1g
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5g
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25g
M111475-25g
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100g
M111475-100g
1

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500g
M111475-500g
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
M0731 | 5-Methoxy-1H-indole | BDBM50400288 | CHEBI:167807 | AM671 | InChI=1/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6, 10H, 1H | BCP26682 | 5Methoxyindole | 5-METHOXYINDOLE | 5-methoxy-indole | 5-methoxyindol | 5-Methoxyindole, 99% | Z104507276 | NSC 521752
Specifications & Purity
≥99%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Pubchem Sid504752502
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752502
Canonical SmilesCOC1=CC2=C(C=C1)NC=C2
IUPAC Name5-methoxy-1H-indole
InChIKeyDWAQDRSOVMLGRQ-UHFFFAOYSA-N
INCHI1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
Isomeric SMILES COC1=CC2=C(C=C1)NC=C2
WGK Germany 3
RTECS NL9500000
Molecular Weight 147.17
Beilstein 116722
Reaxy-Rn 116722
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116722&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassIndoles
Intermediate Tree Nodes Not available
Direct ParentIndoles
Alternative Parents Anisoles  Alkyl aryl ethers  Pyrroles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indole - Anisole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK5 Tchem Cyclin-dependent kinase 5/CDK5 activator 1 (3697 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
panC Pantothenate synthetase (234 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot NumberCertificate TypeDateItem
G2216408Certificate of AnalysisApr 07, 2026 M111475
G2216409Certificate of AnalysisApr 07, 2026 M111475
G2216410Certificate of AnalysisApr 07, 2026 M111475
C1816119Certificate of AnalysisOct 14, 2025 M111475
I2116348Certificate of AnalysisJun 09, 2025 M111475
I2116354Certificate of AnalysisJun 09, 2025 M111475
I2116355Certificate of AnalysisJun 09, 2025 M111475
L2311153Certificate of AnalysisNov 22, 2023 M111475
L2311154Certificate of AnalysisNov 22, 2023 M111475
H1526028Certificate of AnalysisApr 14, 2023 M111475
G2216380Certificate of AnalysisJun 08, 2022 M111475

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Chemical and Physical Properties
SolubilitySoluble in Methanol
Sensitivitylight sensitive; heat sensitive
Boil Point(°C)176-178°C/17mmHg
Melt Point(°C)52-55°C
Molecular Weight147.170 g/mol
XLogP32.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass147.068 Da
Monoisotopic Mass147.068 Da
Topological Polar Surface Area25.000 Ų
Heavy Atom Count11
Formal Charge0
Complexity138.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
Reviews

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