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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 Formule: C₅H₉BrO₂ Poids moléculaire: 181.03 Numéro CE: 182-539-2 PubChem CID: 303683

COA

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2-Bromomethyl-1,3-dioxane - CAS No(5695-63-6) by Aladdin Scientific

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DISPONIBLE À COMMANDE

Storage

Room temperature

Specifications Noms et identifiants Documentation Advanced Data Taxonomic Classification Structure 3D Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Calculateurs de solution Avis

🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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

Conditions de stockage de stockage

Room temperature

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

C1COC(OC1)CBr

PubChem CID

303683

Poids moléculaire

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.

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

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	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
Description	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

Structure 3D

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

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

Analytical Chart:

Propriétés chimiques et physiques

Poids moléculaire	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

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