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3,4-Dichloro-1-(pentafluorophenyl)-1H-pyrrole-2,5-dione - ≥95% , CAS No.186958-58-7

3,4-Dichloro-1-(pentafluorophenyl)-1H-pyrrole-2,5-dione - ≥95% , CAS No.186958-58-7

Name: 3,4-Dichloro-1-(pentafluorophenyl)-1H-pyrrole-2,5-dione - ≥95% , CAS No.186958-58-7
Brand: Aladdin Scientific
SKU: D1060548
Availability: InStock

CAS: 186958-58-7 Cat. No.: D1060548 Molecular Weight: 332.02 EC Number: 681-625-1 PubChem CID: 360352

COA

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3,4-Dichloro-1-(pentafluorophenyl)-1H-pyrrole-2,5-dione - ≥95% CAS No(186958-58-7) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥95%

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

≥95% 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

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

Canonical Smiles	C1(=C(C(=C(C(=C1F)F)F)F)F)N2C(=O)C(=C(C2=O)Cl)Cl
IUPAC Name	3,4-dichloro-1-(2,3,4,5,6-pentafluorophenyl)pyrrole-2,5-dione
InChIKey	QQUWZXNLBVBCLD-UHFFFAOYSA-N
INCHI	1S/C10Cl2F5NO2/c11-1-2(12)10(20)18(9(1)19)8-6(16)4(14)3(13)5(15)7(8)17
Isomeric SMILES	C1(=C(C(=C(C(=C1F)F)F)F)F)N2C(=O)C(=C(C2=O)Cl)Cl
PubChem CID	360352
Molecular Weight	332.02

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 Organoheterocyclic compounds
  - Class Pyrrolines
    - Subclass Phenylpyrrolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolines
Subclass	Phenylpyrrolines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrrolines
Alternative Parents	Nitrogen mustard compounds Fluorobenzenes Maleimides Aryl fluorides N-substituted carboxylic acid imides Vinylogous halides Dicarboximides Pyrroles Vinyl chlorides Azacyclic compounds Chloroalkenes Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organofluorides Organic oxides Organochlorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylpyrroline - Nitrogen mustard - Fluorobenzene - Halobenzene - Maleimide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Dicarboximide - Vinylogous halide - Pyrrole - Carboxylic acid derivative - Azacycle - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
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

Melt Point(°C)	148-151°
Molecular Weight	332.010 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	330.923 Da
Monoisotopic Mass	330.923 Da
Topological Polar Surface Area	37.400 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	462.000
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

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Reviews

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