2-Bromo-1-(3,4-dimethoxyphenyl)ethanone - ≥97% , CAS No.1835-02-5

CAS: 1835-02-5 Cat. No.: B587795 Molecular Weight: 259.11 EC Number: 673-019-0
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
3,4-Dimethoxyphenacyl bromide | SCHEMBL426444 | 2-Bromo-3 inverted exclamation mark ,4 inverted exclamation mark -dimethoxyacetophenone | STK735566 | 1-(3,4-dimethoxyphenyl)-2-bromoethanone | MFCD03425186 | SR-01000045618 | SY019782 | AC-11149 | SR-010000
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
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25g
B587795-25g
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100g
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Why this grade

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

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Storage & shipping

Store at 2-8°C,Argon charged 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
3, 4-Dimethoxyphenacyl bromide | SCHEMBL426444 | 2-Bromo-3 inverted exclamation mark , 4 inverted exclamation mark -dimethoxyacetophenone | STK735566 | 1-(3, 4-dimethoxyphenyl)-2-bromoethanone | MFCD03425186 | SR-01000045618 | SY019782 | AC-11149 | SR-010000
Specifications & Purity
≥97%
Storage
Store at 2-8°C, 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
Canonical SmilesCOC1=C(C=C(C=C1)C(=O)CBr)OC
IUPAC Name2-bromo-1-(3,4-dimethoxyphenyl)ethanone
InChIKeyNUAIPKMBWNVQIM-UHFFFAOYSA-N
INCHI1S/C10H11BrO3/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h3-5H,6H2,1-2H3
Isomeric SMILES COC1=C(C=C(C=C1)C(=O)CBr)OC
Molecular Weight 259.11
Reaxy-Rn 2053458
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2053458&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.

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📊 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
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Dimethoxybenzenes  Phenoxy compounds  Benzoyl derivatives  Aryl alkyl ketones  Anisoles  Alkyl aryl ethers  Alpha-haloketones  Organobromides  Organic oxides  Hydrocarbon derivatives  Alkyl bromides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Ether - Alkyl halide - Organobromide - Organohalogen compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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.

6 results found

Lot NumberCertificate TypeDateItem
E2523071Certificate of AnalysisAug 28, 2023 B587795
I2325042Certificate of AnalysisAug 28, 2023 B587795
I2325043Certificate of AnalysisAug 28, 2023 B587795
I2325044Certificate of AnalysisAug 28, 2023 B587795
I2325045Certificate of AnalysisAug 28, 2023 B587795
I2325046Certificate of AnalysisAug 28, 2023 B587795
Chemical and Physical Properties
Molecular Weight259.100 g/mol
XLogP32.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass257.989 Da
Monoisotopic Mass257.989 Da
Topological Polar Surface Area35.500 Ų
Heavy Atom Count14
Formal Charge0
Complexity196.000
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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