Quintozene(PCNB) - ≥95% , CAS No.82-68-8

CAS: 82-68-8 Cat. No.: Q108787 Summenformel: C6Cl5NO2 Molekulargewicht: 295.33 Beilstein Registry Number: 1914324 EG-Nummer: 201-435-0
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GRADE & PURITY ≥95%
Synonyms
PCNB | Pentachloronitrobenzol | Quintozene [BSI:ISO] | Brassicol super | Marisan forte | PCNB | PCNB, quintozene | Quintozene | QUINTOZENE [IARC] | Quintozene 100 microg/mL in Cyclohexane | NSC58427 | NSC-58427 | Quintocene | Quintozine | Trim (Salt/Mix)
Storage
Room temperature,Desiccated
Shipped In
FedEx DG Service
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Size
Deutschland (EU)
USA*
Price
Qty
5g
Q108787-5g
Auf Bestellung · 8–12 Wochen
8,59€
25g
Q108787-25g
—
4 Auf Lager
20,74€
100g
Q108787-100g
—
4 Auf Lager
54,58€
500g
Q108787-500g
Auf Bestellung · 8–12 Wochen
163,92€
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Desiccated Ships FedEx DG Service 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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
PCNB | Pentachloronitrobenzol | Quintozene [BSI:ISO] | Brassicol super | Marisan forte | PCNB | PCNB, quintozene | Quintozene | QUINTOZENE [IARC] | Quintozene 100 microg/mL in Cyclohexane | NSC58427 | NSC-58427 | Quintocene | Quintozine | Trim (Salt/Mix)
Spezifikationen & Reinheit
≥95%
Storage
Room temperature,Desiccated
Verschickt in
FedEx DG Service
Reinheit
≥95%
Namen und Kennungen
Pubchem Sid488180139
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180139
Kanonisches LächelnC1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]
IUPAC Name1,2,3,4,5-pentachloro-6-nitrobenzene
InChIKeyLKPLKUMXSAEKID-UHFFFAOYSA-N
INCHI1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
Isomere SMILES C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]
WGK Deutschland 2
UN-Nummer 3077
Verpackungsgruppe III
Molekulargewicht 295.33
Beilstein 1914324
Reaxy-Rn 1914324
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1914324&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
KlasseBenzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrobenzenes
Alternative Parents Nitroaromatic compounds  Chlorobenzenes  Aryl chlorides  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors Organochlorine fungicides
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Trichoderma viride (1263 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Colletotrichum fragariae (147 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Coniophora puteana (8 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Sporotrichum (7 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

18 results found

Lot NumberCertificate TypeDatumArtikel
D2614019Certificate of AnalysisApr 25, 2026 Q108787
H2626037Certificate of AnalysisJun 25, 2025 Q108787
G2510593Certificate of AnalysisJun 25, 2025 Q108787
G2510594Certificate of AnalysisJun 25, 2025 Q108787
G2510595Certificate of AnalysisJun 25, 2025 Q108787
G2510596Certificate of AnalysisJun 25, 2025 Q108787
G2510597Certificate of AnalysisJun 25, 2025 Q108787
J2418266Certificate of AnalysisOct 19, 2024 Q108787
L2031104Certificate of AnalysisOct 17, 2024 Q108787
L2031103Certificate of AnalysisOct 17, 2024 Q108787
L2031102Certificate of AnalysisOct 17, 2024 Q108787
J2418504Certificate of AnalysisJul 17, 2024 Q108787
J2418508Certificate of AnalysisJul 17, 2024 Q108787
J2418498Certificate of AnalysisJul 06, 2024 Q108787
J2418502Certificate of AnalysisJul 06, 2024 Q108787
B2310244Certificate of AnalysisFeb 14, 2023 Q108787
B2310245Certificate of AnalysisFeb 14, 2023 Q108787
G1802088Certificate of AnalysisMay 05, 2022 Q108787

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Chemische und physikalische Eigenschaften
Siedepunkt (°C)328°C
Schmelzpunkt (°C)146°C
Molekulargewicht295.300 g/mol
XLogP34.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass294.834 Da
Monoisotopic Mass292.837 Da
Topological Polar Surface Area45.800 Ų
Heavy Atom Count14
Formal Charge0
Complexity219.000
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
Citations of This Product
Referenzen
1. Hao Zhu, Wendi Cao, Yicai Huang, Niel A. Karrow, Zhangping Yang.  (2023)  Involvement of Pyocyanin in Promoting LPS-Induced Apoptosis, Inflammation, and Oxidative Stress in Bovine Mammary Epithelium Cells.  Agriculture-Basel,  13  (12): (2192).  [PMID:] [10.3390/agriculture13122192]
2. Shuang Gao, Lei Zong, Yuhang Zhang, Yang Zhang, Xinyu Guo, Guanhua Guo, Lixia Zhao, Fei Ye, Ying Fu.  (2023)  Antifungal pentachloronitrobenzene/hydroxypropyl-beta-cyclodextrin inclusion complex nanofibers by electrospun with no polymer: Fabrication and characterization.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2023.137499]
3. Guoqiang Fan, Tianzhu Shen, Kun Jia, Xiaoping Xiao, Zhanfeng Wu, Fanghua Gong, Huiqiang Lu.  (2022)  Pentachloronitrobenzene Reduces the Proliferative Capacity of Zebrafish Embryonic Cardiomyocytes via Oxidative Stress.  Toxics,  10  (6): (299).  [PMID:35736907] [10.3390/toxics10060299]
4. Jing Neng, Caiping Liao, Yazhi Wang, Yan Wang, Kai Yang.  (2022)  Rapid and Sensitive Detection of Pentachloronitrobenzene by Surface-Enhanced Raman Spectroscopy Combined with Molecularly Imprinted Polymers.  Biosensors-Basel,  12  (2): (52).  [PMID:35200313] [10.3390/bios12020052]
5. Jianping Ye, Qing Zhou, Zhihong Yan, Kang Li.  (2021)  Preparation of multicolor luminescence Schiff-base compound based on solvent control and its application in the detection of pentachloronitrobenzene.  ANALYTICA CHIMICA ACTA,      [PMID:34482876] [10.1016/j.aca.2021.338794]
6. Xinyue Zhao, Xiaomeng Zhang, Mingwei Qin, Yuzhu Song, Jinyang Zhang, Xueshan Xia, Xiuming Cui, Kai Gao, Qinqin Han.  (2020)  Determination of carbendazim by aptamer-based fluorescence resonance energy transfer (FRET).  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2020.1849250]
7. Qingju Liu, Ping Han, Hui Wang, Wenwen Gong, Xiaoyuan Feng.  (2019)  Antibody-free colorimetric detection of chlorothalonil in cucumber via the inhibition of an enzyme-triggered reaction.  RSC Advances,  9  (18): (9893-9898).  [PMID:35520916] [10.1039/C9RA00291J]
8. Bin Shu, Zhaoguang Yang, Hsiaowan Lee, Bo Qiu, Haipu Li.  (2015)  Development of ultrasound-assisted emulsification microextraction based on solidification of a floating organic droplet for determination of organochlorine pesticides in water samples.  JOURNAL OF SEPARATION SCIENCE,  39  (4): (776-783).  [PMID:26631905] [10.1002/jssc.201501002]
9. Ying Wang, Siqi Li, Jing Sun, Yufang Li, Yan Hu, Chuanpu Shen, Feilong Liu, Shiwen Guo, Feiran Chen, Qiangjian Liu, Jingjing Ma, Fucai Ren, Furong Yang, Qunlin Zhang, Jingyuan Song, Tianyi Xin, Xiangdong Pu.  (2024)  Comprehensive assessment for species authenticity, pesticide residual, and fungal contamination characteristics of Panax herbal tea.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2024.116688]
10. Yi Ma, Xiaofang Liu, Jia Zheng, Mengxia Huang, Jingzhou Hou, Huibo Luo, Changjun Hou, Danqun Huo.  (2024)  Detection of organophosphorus pesticides by a fluorescent sensing assay coupled with enzyme inhibition.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106139]
11. Xiang Shen, Zheshan Duan, Xike Tian, Hongtao Zheng, Dongsheng Wang, Xubo Gao.  (2025)  The vertical distribution, sources and ecological risks of residual organochlorine pesticides in sediments of the North China's largest freshwater lake.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:41240894] [10.1016/j.scitotenv.2025.180881]
Lösungsrechner
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What is the purity of this product?
This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.
How is this product shipped?
This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 82-68-8, the molecular formula is C6Cl5NO2, and the molecular weight is 295.33 g/mol. InChIKey LKPLKUMXSAEKID-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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