Propargite solution - analytical standard, 10μg/ml in methanol , CAS No.2312-35-8

CAS: 2312-35-8 Cat. No.: P114671 Summenformel: C₁₉H₂₆O₄S Molekulargewicht: 350.47 Beilstein Registry Number: 6934289 EG-Nummer: 219-006-1

GRADE & PURITY Analytical standard, 10μg/ml in methanol

Synonyms

KBio1_001596 | [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite | CCG-39413 | Spectrum5_002034 | Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propyn-1-yl ester | Q168065 | AC-12687 | ZYHMJXZULPZUED-UHFFFAOYSA-N | Propargite [ANSI:BS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

KBio1_001596 | [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite | CCG-39413 | Spectrum5_002034 | Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propyn-1-yl ester | Q168065 | AC-12687 | ZYHMJXZULPZUED-UHFFFAOYSA-N | Propargite [ANSI:BS

Spezifikationen & Reinheit

analytical standard, 10μg/ml in methanol

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

• Pubchem Sid: 528770051
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528770051
• Kanonisches Lächeln: CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C
• IUPAC Name: [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite
• InChIKey: ZYHMJXZULPZUED-UHFFFAOYSA-N
• INCHI: 1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3
• Isomere SMILES: CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C
• WGK Deutschland: 3
• RTECS: WT2900000
• UN-Nummer: 3082
• Verpackungsgruppe: III
• Molekulargewicht: 350.47
• Beilstein: 6934289
• Reaxy-Rn: 6934289
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6934289&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Acetylides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Acetylide - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: Acaricides

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

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AR Tclin Androgen Receptor (11781 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Tetranychus urticae (2600 Activities)

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FTL Ferritin light chain (43324 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive.
• Flammpunkt (°C): >71°C
• Molekulargewicht: 350.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 350.155 Da
• Monoisotopic Mass: 350.155 Da
• Topological Polar Surface Area: 64.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 454.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1