4,4'-Dibromobenzil - ≥97% , CAS No.35578-47-3

CAS: 35578-47-3 Cat. No.: D154576 Molecular Weight: 368.02 Beilstein Registry Number: 7(3)3823 EC Number: 252-628-1
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
BENZIL, 4,4'-DIBROMO | 4-(5-Bromopyridin-2-yl)piperazine-1-carboxylic acid tert-butyl ester | DTXSID2044925 | NCGC00260372-01 | O4TXV8A656 | Q27285328 | bis(4-bromophenyl)ethane-1,2-dione | BP-13418 | SY048467 | NCIOpen2_008898 | 4,4 inverted exclamation
Storage
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Shipped In
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D154576-1g
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D154576-10g
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D154576-25g
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D154576-50g
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100g
D154576-100g
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250g
D154576-250g
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Why this grade

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

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Storage & shipping

Room temperature Ships Normal 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.

Overview

4,4′-Dibromobenzil was used in preparation of 5,5′-bis -(4-bromo-phenyl)-3-methyl-imidazolidine-2,4-dione, 5,5′- bis -(4-bromo-phenyl)-3-butyl-imidazolidine-2,4-dione, 5,5′-bis-(4-bromo-phenyl)-3-pentyl-imidazolidine-2,4-dione and 5,5′-bis -(4-chloro-phenyl)-3-ethyl imidazolidine-2,4-dione. It was also used in synthesis of novel quinoxaline-based sensitizers for dye-sensitized solar cells.

Specifications

Synonyms
BENZIL, 4, 4'-DIBROMO | 4-(5-Bromopyridin-2-yl)piperazine-1-carboxylic acid tert-butyl ester | DTXSID2044925 | NCGC00260372-01 | O4TXV8A656 | Q27285328 | bis(4-bromophenyl)ethane-1, 2-dione | BP-13418 | SY048467 | NCIOpen2_008898 | 4, 4 inverted exclamation
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488186996
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488186996
Canonical SmilesC1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br
IUPAC Name1,2-bis(4-bromophenyl)ethane-1,2-dione
InChIKeyNYCBYBDDECLFPE-UHFFFAOYSA-N
INCHI1S/C14H8Br2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
Isomeric SMILES C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br
Molecular Weight 368.02
Beilstein 7(3)3823
Reaxy-Rn 2274485
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2274485&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassStilbenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentStilbenes
Alternative Parents Benzoyl derivatives  Aryl ketones  Bromobenzenes  Aryl bromides  Alpha-diketones  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Stilbene - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Alpha-diketone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketone - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CES1 Tchem Liver carboxylesterase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CES2 Tchem Cocaine esterase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES2 Tchem Carboxylesterase 2 (583 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
rep Replicase polyprotein 1ab (378 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.

17 results found

Lot NumberCertificate TypeDateItem
K2208588Certificate of AnalysisAug 03, 2026 D154576
K2208427Certificate of AnalysisAug 03, 2026 D154576
K2208426Certificate of AnalysisAug 03, 2026 D154576
K2208385Certificate of AnalysisAug 03, 2026 D154576
K2208391Certificate of AnalysisAug 03, 2026 D154576
K2208403Certificate of AnalysisAug 03, 2026 D154576
B2602064Certificate of AnalysisFeb 26, 2026 D154576
K2102558Certificate of AnalysisAug 11, 2025 D154576
K2102559Certificate of AnalysisAug 11, 2025 D154576
K2102560Certificate of AnalysisAug 11, 2025 D154576
K2102561Certificate of AnalysisAug 11, 2025 D154576
K2102562Certificate of AnalysisAug 11, 2025 D154576
C2003147Certificate of AnalysisDec 15, 2023 D154576
F2327219Certificate of AnalysisJul 06, 2023 D154576
L2215928Certificate of AnalysisDec 23, 2022 D154576
K2208379Certificate of AnalysisOct 17, 2022 D154576
I1804040Certificate of AnalysisJul 12, 2022 D154576

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Chemical and Physical Properties
SolubilitySparingly soluble in water.
Melt Point(°C)224 - 229°C
Molecular Weight368.020 g/mol
XLogP34.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass367.887 Da
Monoisotopic Mass365.889 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count18
Formal Charge0
Complexity282.000
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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