4-Bromo-7-methoxy-1-indanone - ≥97% , CAS No.5411-61-0

CAS: 5411-61-0 Cat. No.: B170895 Molecular Weight: 241.08 EC Number: 685-763-3
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
AKOS015904182 | SY019561 | MFCD10565602 | Z1269142287 | SMR000528094 | SCHEMBL9036025 | 4-bromo-7-methoxy-2,3-dihydro-1h-inden-1-one | 4-broMo-2,3-dihydro-7-Methoxyinden-1-one | A829970 | AS-39946 | HMS2885B11 | AM806853 | 4-Bromo-7-methoxy-1-indanone;4-b
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
B170895-250mg
3

$14.90

$22.90
Save $8.00 (34.93%)
1g
B170895-1g
3

$44.90

$67.90
Save $23.00 (33.87%)
5g
B170895-5g
2

$218.90

$328.90
Save $110.00 (33.44%)
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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 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
AKOS015904182 | SY019561 | MFCD10565602 | Z1269142287 | SMR000528094 | SCHEMBL9036025 | 4-bromo-7-methoxy-2, 3-dihydro-1h-inden-1-one | 4-broMo-2, 3-dihydro-7-Methoxyinden-1-one | A829970 | AS-39946 | HMS2885B11 | AM806853 | 4-Bromo-7-methoxy-1-indanone;4-b
Specifications & Purity
≥97%
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
≥97%
Names and Identifiers
Pubchem Sid504757931
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504757931
Canonical SmilesCOC1=C2C(=C(C=C1)Br)CCC2=O
IUPAC Name4-bromo-7-methoxy-2,3-dihydroinden-1-one
InChIKeyOJDMKCLDADYDRL-UHFFFAOYSA-N
INCHI1S/C10H9BrO2/c1-13-9-5-3-7(11)6-2-4-8(12)10(6)9/h3,5H,2,4H2,1H3
Isomeric SMILES COC1=C2C(=C(C=C1)Br)CCC2=O
WGK Germany 3
Molecular Weight 241.08
Reaxy-Rn 3258975
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3258975&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
SuperclassBenzenoids
ClassIndanes
SubclassIndanones
Intermediate Tree Nodes Not available
Direct ParentIndanones
Alternative Parents Aryl alkyl ketones  Anisoles  Alkyl aryl ethers  Aryl bromides  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Indanone - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl bromide - Aryl halide - Ketone - Ether - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organooxygen compound - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGR Thioredoxin glutathione reductase (28579 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 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.

6 results found

Lot NumberCertificate TypeDateItem
F2314717Certificate of AnalysisMar 18, 2026 B170895
F2314721Certificate of AnalysisMar 18, 2026 B170895
F2314722Certificate of AnalysisMar 18, 2026 B170895
F2314723Certificate of AnalysisMar 18, 2026 B170895
F2314724Certificate of AnalysisMar 18, 2026 B170895
F2314735Certificate of AnalysisMar 18, 2026 B170895
Chemical and Physical Properties
Melt Point(°C)134-138 °C
Molecular Weight241.080 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass239.979 Da
Monoisotopic Mass239.979 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count13
Formal Charge0
Complexity217.000
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
Reviews

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