Plifenat - analytical standard , CAS No.21757-82-4

CAS: 21757-82-4 Cat. No.: P114796 分子式: C₁₀H₇Cl₅O₂ 分子量: 336.43 Beilstein Registry Number: 6294075 EC番号: 244-573-7

GRADE & PURITY Analytical standard

Synonyms

Benzyl alcohol, 3,4-dichloro-alpha-(trichloromethyl)-, acetate | DTXSID20865012 | Oprea1_532952 | AI3-29252 | Penfenate | Benzenemethanol, 3,4-dichloro-alpha-(trichloromethyl)-, acetate | Isobutyl 3-phenylpropenoate | BRN 2466230 | .BETA.,.BETA.,.BETA.-TR

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Benzyl alcohol, 3,4-dichloro-alpha-(trichloromethyl)-, acetate | DTXSID20865012 | Oprea1_532952 | AI3-29252 | Penfenate | Benzenemethanol, 3,4-dichloro-alpha-(trichloromethyl)-, acetate | Isobutyl 3-phenylpropenoate | BRN 2466230 | .BETA.,.BETA.,.BETA.-TR

仕様と純度

analytical standard

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

名前と識別子

カノニカル・スマイル

CC(=O)OC(C1=CC(=C(C=C1)Cl)Cl)C(Cl)(Cl)Cl

IUPAC Name

[2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl] acetate

InChIKey

FSGNOVKGEXRRHD-UHFFFAOYSA-N

INCHI

1S/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3

異性体SMILES

CC(=O)OC(C1=CC(=C(C=C1)Cl)Cl)C(Cl)(Cl)Cl

WGKドイツ

3

RTECS

KK5000000

分子量

336.43

Beilstein

6294075

Reaxy-Rn

2466230

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2466230&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Dichlorobenzenes Aryl chlorides Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 分子量: 336.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 335.886 Da
• Monoisotopic Mass: 333.889 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 278.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

How should this product be stored?

Store at room temperature.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 21757-82-4, the molecular formula is C10H7Cl5O2, and the molecular weight is 336.43 g/mol. InChIKey FSGNOVKGEXRRHD-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.