3-Ethynylbenzaldehyde - ≥97% , CAS No.77123-56-9

CAS: 77123-56-9 Cat. No.: E469667 Formula: C9H6O Molecular Weight: 130.139 EC Number: 663-358-2
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
PS-3047 | STL558402 | F21254 | 3ethynylbenzaldehyde | 3-ethynylbenzaldehyde | 3-Ethynyl-benzaldehyde | W-203766 | MFCD06245349 | AKOS000111536 | FT-0641633 | m-Ethynylbenzaldehyde | SCHEMBL577853 | SY273914 | A1-00156 | BENZALDEHYDE, 3-ETHYNYL- | BBL10426
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
★
Size
Germany (EU)
USA*
Price
Qty
50mg
E469667-50mg
—
1 In stock

€8.59

€12.93
Save €4.34 (33.56%)
100mg
E469667-100mg
Made to order · 8–12 wks

€10.33

€15.53
Save €5.21 (33.52%)
200mg
E469667-200mg
Made to order · 8–12 wks

€12.93

€19.87
Save €6.94 (34.93%)
250mg
E469667-250mg
Made to order · 8–12 wks

€15.53

€23.34
Save €7.81 (33.46%)
1g
E469667-1g
—
1 In stock

€58.92

€88.42
Save €29.50 (33.37%)
5g
E469667-5g
Made to order · 8–12 wks

€173.46

€260.23
Save €86.77 (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged 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
PS-3047 | STL558402 | F21254 | 3ethynylbenzaldehyde | 3-ethynylbenzaldehyde | 3-Ethynyl-benzaldehyde | W-203766 | MFCD06245349 | AKOS000111536 | FT-0641633 | m-Ethynylbenzaldehyde | SCHEMBL577853 | SY273914 | A1-00156 | BENZALDEHYDE, 3-ETHYNYL- | BBL10426
Specifications & Purity
≥97%
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Pubchem Sid528758362
Canonical SmilesC#CC1=CC=CC(=C1)C=O
IUPAC Name3-ethynylbenzaldehyde
InChIKeyIGIUWNVGCVCNPV-UHFFFAOYSA-N
INCHI1S/C9H6O/c1-2-8-4-3-5-9(6-8)7-10/h1,3-7H
Isomeric SMILES C#CC1=CC=CC(=C1)C=O
Molecular Weight 130.139
Reaxy-Rn 4243173
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4243173&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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoyl derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoyl derivatives
Alternative Parents Benzaldehydes  Acetylides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzoyl - Benzaldehyde - Aryl-aldehyde - Acetylide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
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
H2415221Certificate of AnalysisApr 12, 2024 E469667
H2415222Certificate of AnalysisApr 12, 2024 E469667
H2415223Certificate of AnalysisApr 12, 2024 E469667
Chemical and Physical Properties
SensitivityLight & Heat & Moisture sensitive
Melt Point(°C)75-80 °C
Molecular Weight130.139 g/mol
XLogP31.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass130.042 Da
Monoisotopic Mass130.042 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count10
Formal Charge0
Complexity163.000
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
Reviews

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