(5,6-DiChloro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile - ≥97% , CAS No.2197167-50-1

CAS: 2197167-50-1 Cat. No.: D404098 Molecular Weight: 263.08 EC Number: 878-617-7
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
2197167-50-1 | SY330302 | 2-(5,6-dichloro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)propanedinitrile | D5945 | SCHEMBL20819702 | BS-52395 | E74453 | 2-(5,6-dichloro-3-oxo-2,3-dihydro-1h-inden-1-ylidene)malononitrile | MFCD32853816 | (5,6-Dichloro-3-oxo-2,3-dih
Storage
Protected from light,Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
D404098-50mg
1

$13.90

$20.90
Save $7.00 (33.49%)
100mg
D404098-100mg
5

$23.90

$35.90
Save $12.00 (33.43%)
200mg
D404098-200mg
1

$43.90

$65.90
Save $22.00 (33.38%)
250mg
D404098-250mg
3

$51.90

$77.90
Save $26.00 (33.38%)
1g
D404098-1g
2

$135.90

$203.90
Save $68.00 (33.35%)
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Protected from light,Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2197167-50-1 | SY330302 | 2-(5, 6-dichloro-3-oxo-2, 3-dihydro-1H-inden-1-ylidene)propanedinitrile | D5945 | SCHEMBL20819702 | BS-52395 | E74453 | 2-(5, 6-dichloro-3-oxo-2, 3-dihydro-1h-inden-1-ylidene)malononitrile | MFCD32853816 | (5, 6-Dichloro-3-oxo-2, 3-dih
Specifications & Purity
≥97%
Storage
Protected from light, Argon charged, Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488202807
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488202807
Canonical SmilesC1C(=C(C#N)C#N)C2=CC(=C(C=C2C1=O)Cl)Cl
IUPAC Name2-(5,6-dichloro-3-oxoinden-1-ylidene)propanedinitrile
InChIKeyGSESGZDMIABVRC-UHFFFAOYSA-N
INCHI1S/C12H4Cl2N2O/c13-10-1-8-7(6(4-15)5-16)3-12(17)9(8)2-11(10)14/h1-2H,3H2
Isomeric SMILES C1C(=C(C#N)C#N)C2=CC(=C(C=C2C1=O)Cl)Cl
Molecular Weight 263.08
Reaxy-Rn 31959301
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31959301&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassIndanes
SubclassIndanones
Intermediate Tree Nodes Not available
Direct ParentIndanones
Alternative Parents Aryl alkyl ketones  Alpha-branched alpha,beta-unsaturated ketones  Enones  Acryloyl compounds  Vinyl chlorides  Nitriles  Chloroalkenes  Organopnictogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Indanone - Aryl alkyl ketone - Aryl ketone - Alpha-branched alpha,beta-unsaturated-ketone - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
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.

11 results found

Lot NumberCertificate TypeDateItem
E2316446Certificate of AnalysisFeb 04, 2026 D404098
E2316449Certificate of AnalysisFeb 04, 2026 D404098
E2316456Certificate of AnalysisFeb 04, 2026 D404098
D2312743Certificate of AnalysisJan 21, 2026 D404098
D2312948Certificate of AnalysisJan 21, 2026 D404098
D2312990Certificate of AnalysisJan 21, 2026 D404098
D2313007Certificate of AnalysisJan 21, 2026 D404098
D2313024Certificate of AnalysisJan 21, 2026 D404098
D2313028Certificate of AnalysisJan 21, 2026 D404098
L2409403Certificate of AnalysisApr 12, 2024 D404098
L2409404Certificate of AnalysisApr 12, 2024 D404098

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Chemical and Physical Properties
Sensitivitylight & air sensitive
Molecular Weight263.080 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass261.97 Da
Monoisotopic Mass261.97 Da
Topological Polar Surface Area64.700 Ų
Heavy Atom Count17
Formal Charge0
Complexity475.000
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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