Bromoacetylcholine bromide - ≥97% , CAS No.22004-27-9

CAS: 22004-27-9 Cat. No.: B353648 Molecular Weight: 305.01 PubChem CID: 11957478
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
DTXSID701017386 | LP00196 | B-121 | HMS3260H13 | EU-0100196 | J-014415 | SR-01000075729-1 | {2-[(2-bromoacetyl)oxy]ethyl}trimethylazanium bromide | D86709 | WS-00565 | MLS002153520 | Tox21_500196 | 2-(2-Bromoacetyloxy)-N.,N,N-trimethylethanaminium bromide
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
B353648-100mg
1

$131.90

$197.90
Save $66.00 (33.35%)
500mg
B353648-500mg
1

$459.90

$689.90
Save $230.00 (33.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Overview

Bromoacetylcholine bromide is used as an affinity alkylating agent for nicotinic receptors.

Specifications

Synonyms
DTXSID701017386 | LP00196 | B-121 | HMS3260H13 | EU-0100196 | J-014415 | SR-01000075729-1 | {2-[(2-bromoacetyl)oxy]ethyl}trimethylazanium bromide | D86709 | WS-00565 | MLS002153520 | Tox21_500196 | 2-(2-Bromoacetyloxy)-N., N, N-trimethylethanaminium bromide
Specifications & Purity
≥97%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesC[N+](C)(C)CCOC(=O)CBr.[Br-]
IUPAC Name2-(2-bromoacetyl)oxyethyl-trimethylazanium;bromide
InChIKeyAFIIOPIEVQSYHH-UHFFFAOYSA-M
INCHI1S/C7H15BrNO2.BrH/c1-9(2,3)4-5-11-7(10)6-8;/h4-6H2,1-3H3;1H/q+1;/p-1
Isomeric SMILES C[N+](C)(C)CCOC(=O)CBr.[Br-]
WGK Germany 3
RTECS FZ9902000
PubChem CID 11957478
Molecular Weight 305.01

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
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassQuaternary ammonium salts
Intermediate Tree Nodes Cholines
Direct ParentAcyl cholines
Alternative Parents Tetraalkylammonium salts  Alpha-halocarboxylic acid derivatives  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organobromides  Organic oxides  Organic bromide salts  Hydrocarbon derivatives  Carbonyl compounds  Amines  Alkyl bromides  Organic cations  
Molecular FrameworkAliphatic acyclic compounds
Substituents Acyl choline - Alpha-halocarboxylic acid derivative - Tetraalkylammonium salt - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organobromide - Organohalogen compound - Organic bromide salt - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl bromide - Organic salt - Organic cation - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC5A7 Tchem High-affinity choline transporter (1462 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Danio rerio (3092 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.

4 results found

Lot NumberCertificate TypeDateItem
A2517199Certificate of AnalysisJan 10, 2025 B353648
A2517201Certificate of AnalysisJan 10, 2025 B353648
A2517202Certificate of AnalysisJan 10, 2025 B353648
A2517203Certificate of AnalysisJan 10, 2025 B353648
Chemical and Physical Properties
SolubilityH2O: soluble
Melt Point(°C)135-137° C
Molecular Weight305.010 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass304.945 Da
Monoisotopic Mass302.947 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count12
Formal Charge0
Complexity131.000
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 Count2
Documents & Articles
Solution Calculators
Reviews

Customer Reviews

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