Anilofos - analytical standard, ≥98.5% , CAS No.64249-01-0

CAS: 64249-01-0 Cat. No.: A110028 分子式: C₁₃H₁₉ClNO₃PS₂ 分子量: 367.85 Beilstein Registry Number: 2395778 EC番号: 264-756-5

GRADE & PURITY Analytical standard, ≥98.5%

Synonyms

Anilofos, PESTANAL(R), analytical standard | Anilophos | S-(2-((4-Chlorophenyl)(isopropyl)amino)-2-oxoethyl) O,O-dimethyl phosphorodithioate | HY-B2016 | AKOS015895538 | FT-0630746 | DTXSID5058149 | Phosphorodithioic acid, S-[2-[(4-chlorophenyl)(1-methyle

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Anilofos is a pre-emergence, organophosphorus herbicide. Anilofos has moderate toxic potential in mammals.

Specifications

同義語

Anilofos, PESTANAL(R), analytical standard | Anilophos | S-(2-((4-Chlorophenyl)(isopropyl)amino)-2-oxoethyl) O,O-dimethyl phosphorodithioate | HY-B2016 | AKOS015895538 | FT-0630746 | DTXSID5058149 | Phosphorodithioic acid, S-[2-[(4-chlorophenyl)(1-methyle

仕様と純度

analytical standard, ≥98.5%

保管条件

Store at 2-8°C

入荷

Wet ice

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。

等級

分析用標準物質

純度

≥98.5%

名前と識別子

• パブケム・シド: 528775483
• カノニカル・スマイル: CC(C)N(C1=CC=C(C=C1)Cl)C(=O)CSP(=S)(OC)OC
• IUPAC Name: N-(4-chlorophenyl)-2-dimethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide
• InChIKey: NXQDBZGWYSEGFL-UHFFFAOYSA-N
• INCHI: 1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3
• 異性体SMILES: CC(C)N(C1=CC=C(C=C1)Cl)C(=O)CSP(=S)(OC)OC
• 分子量: 367.85
• Beilstein: 2395778
• Reaxy-Rn: 2395778
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2395778&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Chlorobenzenes Dithiophosphate S-esters Dithiophosphate O-esters Aryl chlorides Tertiary carboxylic acid amides Sulfenyl compounds Organothiophosphorus compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Chlorobenzene - Halobenzene - Aryl halide - Dithiophosphate o-ester - Aryl chloride - Dithiophosphate s-ester - Organic dithiophosphate - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organothiophosphorus compound - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organosulfur compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• External Descriptors: Organophosphorus herbicides

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

• 引火点（°C）: >100°C
• 分子量: 367.900 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 367.023 Da
• Monoisotopic Mass: 367.023 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 382.000
• 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