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Chemikalien & Biochemikalien
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Heterocyclische Bausteine
2-Bromomethyl-1,3-dioxane , CAS No.5695-63-6

2-Bromomethyl-1,3-dioxane , CAS No.5695-63-6

Name: 2-Bromomethyl-1,3-dioxane , CAS No.5695-63-6
SKU: B990513
Availability: InStock

CAS: 5695-63-6 Cat. No.: B990513 Summenformel: C₅H₉BrO₂ Molekulargewicht: 181.03 EG-Nummer: 182-539-2 PubChem CID: 303683

COA

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Storage

Room temperature

Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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

Storage

Room temperature

Namen und Kennungen

Kanonisches Lächeln	C1COC(OC1)CBr
IUPAC Name	2-(bromomethyl)-1,3-dioxane
InChIKey	QAURNRYFMGYNRF-UHFFFAOYSA-N
INCHI	1S/C5H9BrO2/c6-4-5-7-2-1-3-8-5/h5H,1-4H2
Isomere SMILES	C1COC(OC1)CBr
PubChem CID	303683
Molekulargewicht	181.03

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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Klasse Dioxanes
    - Subclass 1,3-dioxanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Klasse	Dioxanes
Subclass	1,3-dioxanes
Intermediate Tree Nodes	Not available
Direct Parent	1,3-dioxanes
Alternative Parents	Oxacyclic compounds Acetals Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Meta-dioxane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	181.030 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	179.979 Da
Monoisotopic Mass	179.979 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	61.400
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Lösungsrechner

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