JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

Account

Settings

Language

྾

224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items

Home
Chemistry & Biochemicals
Building Blocks
Heterocyclic Building Blocks
2-(3,5-Dichlorobenzoyl)-5-(1,3-dioxolan-2-YL)thiophene , CAS No.898778-96-6

2-(3,5-Dichlorobenzoyl)-5-(1,3-dioxolan-2-YL)thiophene , CAS No.898778-96-6

Name: 2-(3,5-Dichlorobenzoyl)-5-(1,3-dioxolan-2-YL)thiophene , CAS No.898778-96-6
Brand: Aladdin Scientific
SKU: D966657
Availability: InStock

CAS: 898778-96-6 Cat. No.: D966657 Molecular Weight: 329.19 PubChem CID: 24723532

COA

Skip to the end of the images gallery

2-(3,5-Dichlorobenzoyl)-5-(1,3-dioxolan-2-YL)thiophene - CAS No(898778-96-6) by Aladdin Scientific

Skip to the beginning of the images gallery

AVAILABLE TO ORDER

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

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

Storage

Room temperature

Names and Identifiers

Canonical Smiles	C1COC(O1)C2=CC=C(S2)C(=O)C3=CC(=CC(=C3)Cl)Cl
IUPAC Name	(3,5-dichlorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
InChIKey	PNPPGBBDDVWZOA-UHFFFAOYSA-N
INCHI	1S/C14H10Cl2O3S/c15-9-5-8(6-10(16)7-9)13(17)11-1-2-12(20-11)14-18-3-4-19-14/h1-2,5-7,14H,3-4H2
Isomeric SMILES	C1COC(O1)C2=CC=C(S2)C(=O)C3=CC(=CC(=C3)Cl)Cl
PubChem CID	24723532
Molecular Weight	329.19

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 Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Aryl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Aryl-phenylketones
Alternative Parents	Thiophene carboxylic acids and derivatives Dichlorobenzenes Benzoyl derivatives 2,5-disubstituted thiophenes Aryl chlorides Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Acetals Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl-phenylketone - Benzoyl - 1,3-dichlorobenzene - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Meta-dioxolane - Thiophene - Oxacycle - Acetal - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organochloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
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 Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	329.200 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	327.973 Da
Monoisotopic Mass	327.973 Da
Topological Polar Surface Area	63.800 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	352.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Reconstitution Calculator

Reviews

Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.

Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.