Simazine solution - analytical standard, 10μg/ml in acetone , CAS No.122-34-9

CAS: 122-34-9 Cat. No.: S114868 分子式: C₇H₁₂ClN₅ 分子量: 201.66 Beilstein Registry Number: 10895 EC番号: 204-535-2 PubChem CID: 5216

グレード＆純度 Analytical standard, 10μg/ml in acetone

Synonyms

simazine|122-34-9|Gesatop|Princep|Simanex|Aquazine|Tafazine|Herbex|Radocon|Batazina|Herbazin|Symazine|Taphazine|Amizine|Bitemol|Gesapun|Herboxy|Printop|Radokor|Simadex|Zeapur|Herbazin 50|Primatol S|Aktinit S|Hungazin DT|Gesaran|Premazine|Simazin|Simazine

Storage

Room temperature

Shipped In

Normal

仕様

同義語

simazine | 122-34-9 | Gesatop | Princep | Simanex | Aquazine | Tafazine | Herbex | Radocon | Batazina | Herbazin | Symazine | Taphazine | Amizine | Bitemol | Gesapun | Herboxy | Printop | Radokor | Simadex | Zeapur | Herbazin 50 | Primatol S | Aktinit S | Hungazin DT | Gesaran | Premazine | Simazin | Simazine

仕様と純度

analytical standard, 10μg/ml in acetone

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

CCNC1=NC(=NC(=N1)Cl)NCC

IUPAC Name

6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

InChIKey

ODCWYMIRDDJXKW-UHFFFAOYSA-N

INCHI

1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)

異性体SMILES

CCNC1=NC(=NC(=N1)Cl)NCC

WGKドイツ

3

PubChem CID

5216

UN番号

3077

包装グループ

III

分子量

201.66

Beilstein

10895

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Triazines
      • Subclass 1,3,5-triazines
        • Level5 Halo-S-triazines
          • Level6 Chloro-s-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Halo-S-triazines
• Direct Parent: Chloro-s-triazines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chloro-s-triazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as chloro-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with a chlorine atom.
• External Descriptors: s-triazine

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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作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: 212.0 °F
• 引火点（°C）: 100 °C
• 分子量: 201.660 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 201.078 Da
• Monoisotopic Mass: 201.078 Da
• Topological Polar Surface Area: 62.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 131.000
• 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

よくある質問

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 should this product be stored?

Store at room temperature.

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 122-34-9, the molecular formula is C7H12ClN5, and the molecular weight is 201.66 g/mol. InChIKey ODCWYMIRDDJXKW-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.