3-(bromomethyl)oxane - ≥97% , CAS No.116131-44-3

CAS: 116131-44-3 Cat. No.: B172263 Molecular Weight: 179.05 EC Number: 806-646-7
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
3-(bromomethyl)-tetrahydro-2H-pyran | 3-(BROMOMETHYL)TETRAHYDRO-2H-PYRAN | AS-34511 | F8889-0815 | 3-bromomethyltetrahydropyran | MFCD08235012 | PB14565 | SY042140 | ZLUWLWXZMXLDGO-UHFFFAOYSA-N | DTXSID30626974 | EN300-44032 | SCHEMBL980407 | 3-(bromometh
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
B172263-100mg
2

$96.90

$145.90
Save $49.00 (33.58%)
250mg
B172263-250mg
2

$209.90

$314.90
Save $105.00 (33.34%)
1g
B172263-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$489.90

$734.90
Save $245.00 (33.34%)
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Why this grade

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

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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

Synonyms
3-(bromomethyl)-tetrahydro-2H-pyran | 3-(BROMOMETHYL)TETRAHYDRO-2H-PYRAN | AS-34511 | F8889-0815 | 3-bromomethyltetrahydropyran | MFCD08235012 | PB14565 | SY042140 | ZLUWLWXZMXLDGO-UHFFFAOYSA-N | DTXSID30626974 | EN300-44032 | SCHEMBL980407 | 3-(bromometh
Specifications & Purity
≥97%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesC1CC(COC1)CBr
IUPAC Name3-(bromomethyl)oxane
InChIKeyZLUWLWXZMXLDGO-UHFFFAOYSA-N
INCHI1S/C6H11BrO/c7-4-6-2-1-3-8-5-6/h6H,1-5H2
Isomeric SMILES C1CC(COC1)CBr
Molecular Weight 179.05
Reaxy-Rn 103055
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103055&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.

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
SuperclassOrganoheterocyclic compounds
ClassOxanes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentOxanes
Alternative Parents Oxacyclic compounds  Dialkyl ethers  Organobromides  Hydrocarbon derivatives  Alkyl bromides  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Oxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
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.

3 results found

Lot NumberCertificate TypeDateItem
I2510304Certificate of AnalysisJun 28, 2025 B172263
I2510306Certificate of AnalysisJun 28, 2025 B172263
I2522619Certificate of AnalysisJun 28, 2025 B172263
Chemical and Physical Properties
Molecular Weight179.050 g/mol
XLogP31.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass177.999 Da
Monoisotopic Mass177.999 Da
Topological Polar Surface Area9.200 Ų
Heavy Atom Count8
Formal Charge0
Complexity65.500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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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