Pentachlorobenzene - ≥98% , CAS No.608-93-5

CAS: 608-93-5 Cat. No.: P140506 分子式: HC₆Cl₅ 分子量: 250.34 Beilstein Registry Number: 1911550 EC番号: 210-172-0

GRADE & PURITY ≥98%

Synonyms

DTXSID7024247 | PENTACHLOROBENZENE | QCB | 2,3,4,5,6-PENTACHLOROBENZENE | EN300-19630 | C18141 | CDS1_000148 | EINECS 210-172-0 | Benzene, 1,2,3,4,5-pentachloro- | AKOS009031527 | MLS002454433 | RCRA waste number U183 | SR-01000645029-1 | HMS548G16 | D62G

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

概要

It was used to prepare tetrachlorobenzene by photolysis.

Pentachlorobenzene was determined in the water samples by packed sorbent (MEPS) coupled directly to programmed temperature vaporizer-gas chromatography-mass spectrometry.

Specifications

同義語

DTXSID7024247 | PENTACHLOROBENZENE | QCB | 2,3,4,5,6-PENTACHLOROBENZENE | EN300-19630 | C18141 | CDS1_000148 | EINECS 210-172-0 | Benzene, 1,2,3,4,5-pentachloro- | AKOS009031527 | MLS002454433 | RCRA waste number U183 | SR-01000645029-1 | HMS548G16 | D62G

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice,FedEx DG Service

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 508812341
• カノニカル・スマイル: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
• IUPAC Name: 1,2,3,4,5-pentachlorobenzene
• InChIKey: CEOCDNVZRAIOQZ-UHFFFAOYSA-N
• INCHI: 1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
• 異性体SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
• WGKドイツ: 3
• RTECS: DA6640000
• UN番号: 3077
• 包装グループ: III
• 分子量: 250.34
• Beilstein: 1911550
• Reaxy-Rn: 1911550
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911550&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• External Descriptors: pentachlorobenzenes

Data sources

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

関連ターゲット（人間）

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Discover Target: CYP3A4

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Easily soluble in benzene, chloroform, and ether, insoluble in water.
• 感度: Moisture sensitive
• 沸点（°C）: 275-277°C
• 融点（°C）: 84-87°C
• 分子量: 250.300 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 249.849 Da
• Monoisotopic Mass: 247.852 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 125.000
• 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