Chlorendic Acid - ≥98% , CAS No.115-28-6

CAS: 115-28-6 Cat. No.: H129143 Molecular Weight: 388.84 Beilstein Registry Number: 1892213 EC Number: 204-078-9
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
Bicyclo[2.2.1]-5-heptene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro- | D90788 | Tox21_202339 | EINECS 204-078-9 | HET acid | Kyselina het [Czech] | NCI-C55072 | 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid | C19204 | NSC-22225 |
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
H129143-5g
4
$9.90
25g
H129143-25g
5
$14.90
100g
H129143-100g
4
$43.90
500g
H129143-500g
1
$125.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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
Bicyclo[2.2.1]-5-heptene-2, 3-dicarboxylic acid, 1, 4, 5, 6, 7, 7-hexachloro- | D90788 | Tox21_202339 | EINECS 204-078-9 | HET acid | Kyselina het [Czech] | NCI-C55072 | 1, 4, 5, 6, 7, 7-Hexachlorobicyclo[2.2.1]hept-5-ene-2, 3-dicarboxylic acid | C19204 | NSC-22225 |
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488180741
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180741
Canonical SmilesC1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O
IUPAC Name1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
InChIKeyDJKGDNKYTKCJKD-UHFFFAOYSA-N
INCHI1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)
Isomeric SMILES C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O
WGK Germany 3
RTECS RB9000000
Molecular Weight 388.84
Beilstein 1892213
Reaxy-Rn 1892213
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1892213&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
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassDicarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentDicarboxylic acids and derivatives
Alternative Parents Vinyl chlorides  Chloroalkenes  Carboxylic acids  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl chlorides  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Dicarboxylic acid or derivatives - Carboxylic acid - Vinyl chloride - Vinyl halide - Haloalkene - Chloroalkene - Alkyl chloride - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
External Descriptors organochlorine compound - dicarboxylic acid - bridged compound
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACP1 Tchem Low molecular weight phosphotyrosine protein phosphatase (1161 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLH Tchem DNA polymerase eta (21678 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGR Thioredoxin glutathione reductase (28579 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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
B2314303Certificate of AnalysisOct 26, 2022 H129143
B2314305Certificate of AnalysisOct 26, 2022 H129143
B2314309Certificate of AnalysisOct 26, 2022 H129143
B2314334Certificate of AnalysisOct 26, 2022 H129143
Chemical and Physical Properties
SolubilitySolubility in Methanol almost transparency
Melt Point(°C)239-242°C
Molecular Weight388.800 g/mol
XLogP32.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass387.821 Da
Monoisotopic Mass385.824 Da
Topological Polar Surface Area74.600 Ų
Heavy Atom Count19
Formal Charge0
Complexity487.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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