8-Bromooct-1-yne - ≥95% , CAS No.81216-13-9

CAS: 81216-13-9 Cat. No.: B590235 Molecular Weight: 189.09 EC Number: 831-323-2
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
XUGGUUBNZPZPHM-UHFFFAOYSA-N | 8-bromooct-1-yne | A1-31431 | EN300-734629 | MFCD20621358 | DTXSID40455373 | 8-bromo-1-octyne | SY275551 | AT14297 | BS-45179 | SCHEMBL3689232 | 1-Octyne, 8-bromo- | BP-28388
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
B590235-100mg
3

$54.90

$82.90
Save $28.00 (33.78%)
250mg
B590235-250mg
3

$94.90

$142.90
Save $48.00 (33.59%)
1g
B590235-1g
1

$261.90

$392.90
Save $131.00 (33.34%)
5g
B590235-5g
1

$877.90

$1,316.90
Save $439.00 (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated 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
XUGGUUBNZPZPHM-UHFFFAOYSA-N | 8-bromooct-1-yne | A1-31431 | EN300-734629 | MFCD20621358 | DTXSID40455373 | 8-bromo-1-octyne | SY275551 | AT14297 | BS-45179 | SCHEMBL3689232 | 1-Octyne, 8-bromo- | BP-28388
Specifications & Purity
≥95%
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Canonical SmilesC#CCCCCCCBr
IUPAC Name8-bromooct-1-yne
InChIKeyXUGGUUBNZPZPHM-UHFFFAOYSA-N
INCHI1S/C8H13Br/c1-2-3-4-5-6-7-8-9/h1H,3-8H2
Isomeric SMILES C#CCCCCCCBr
Molecular Weight 189.09
Reaxy-Rn 1815965
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1815965&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
SuperclassAcetylides
ClassNot available
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAcetylides
Alternative Parents Organobromides  Hydrocarbon derivatives  Alkyl bromides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Acetylide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon.
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.

4 results found

Lot NumberCertificate TypeDateItem
K2310134Certificate of AnalysisOct 17, 2023 B590235
K2310135Certificate of AnalysisOct 17, 2023 B590235
K2310154Certificate of AnalysisOct 17, 2023 B590235
K2310155Certificate of AnalysisOct 17, 2023 B590235
Chemical and Physical Properties
Molecular Weight189.090 g/mol
XLogP33.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Exact Mass188.02 Da
Monoisotopic Mass188.02 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity88.000
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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