4-bromo-3-methyl-1H-indole - ≥97% , CAS No.475039-81-7

CAS: 475039-81-7 Cat. No.: B176561 Molecular Weight: 210.074 EC Number: 814-205-5
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
SCHEMBL3614670 | MFCD15144591 | FT-0717878 | HQYNWUZMWCHKGJ-UHFFFAOYSA-N | 4-Bromo-3-methylindole | 4-Bromo-3-methyl-indole | J-514741 | A853536 | DS-2198 | SY031146 | AKOS015951480 | SB14935 | DTXSID60680943 | 3-methyl-4-bromoindole | AM20040533 | 1H-IND
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
B176561-250mg
2
$19.90
1g
B176561-1g
2
$46.90
5g
B176561-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$175.90
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyms
SCHEMBL3614670 | MFCD15144591 | FT-0717878 | HQYNWUZMWCHKGJ-UHFFFAOYSA-N | 4-Bromo-3-methylindole | 4-Bromo-3-methyl-indole | J-514741 | A853536 | DS-2198 | SY031146 | AKOS015951480 | SB14935 | DTXSID60680943 | 3-methyl-4-bromoindole | AM20040533 | 1H-IND
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Pubchem Sid504771085
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504771085
Canonical SmilesCC1=CNC2=C1C(=CC=C2)Br
IUPAC Name4-bromo-3-methyl-1H-indole
InChIKeyHQYNWUZMWCHKGJ-UHFFFAOYSA-N
INCHI1S/C9H8BrN/c1-6-5-11-8-4-2-3-7(10)9(6)8/h2-5,11H,1H3
Isomeric SMILES CC1=CNC2=C1C(=CC=C2)Br
Molecular Weight 210.074
Reaxy-Rn 9120004
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9120004&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassIndoles
Intermediate Tree Nodes 3-alkylindoles
Direct Parent3-methylindoles
Alternative Parents Substituted pyrroles  Benzenoids  Aryl bromides  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 3-methylindole - Benzenoid - Substituted pyrrole - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

3 results found

Lot NumberCertificate TypeDateItem
B2225092Certificate of AnalysisDec 18, 2024 B176561
B2225155Certificate of AnalysisDec 18, 2024 B176561
B2225158Certificate of AnalysisDec 18, 2024 B176561
Chemical and Physical Properties
SensitivityAir sensitive;Light sensitive
Molecular Weight210.070 g/mol
XLogP33.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass208.984 Da
Monoisotopic Mass208.984 Da
Topological Polar Surface Area15.800 Ų
Heavy Atom Count11
Formal Charge0
Complexity148.000
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
Solution Calculators
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