Chlorthiamid - ≥98% , CAS No.1918-13-4

CAS: 1918-13-4 Cat. No.: C355781 Summenformel: C₇H₅Cl₂NS Molekulargewicht: 206.09 EG-Nummer: 217-637-7

GRADE & PURITY ≥98%

Synonyms

2,6-dichlorobenzene-1-carbothioamide | CHLORTHIAMID [ISO] | Chlorthiamid, PESTANAL(R), analytical standard | 2,6-Dichlor-thiobenzamid [German] | prefixe | 2,6-Dichlor-thiobenzamid | CHEBI:949 | DTXCID2021783 | WL-5792 | CCRIS 1472 | Chlortiamide [ISO-Fren

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

2,6-dichlorobenzene-1-carbothioamide | CHLORTHIAMID [ISO] | Chlorthiamid, PESTANAL(R), analytical standard | 2,6-Dichlor-thiobenzamid [German] | prefixe | 2,6-Dichlor-thiobenzamid | CHEBI:949 | DTXCID2021783 | WL-5792 | CCRIS 1472 | Chlortiamide [ISO-Fren

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504761205
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761205
• Kanonisches Lächeln: C1=CC(=C(C(=C1)Cl)C(=S)N)Cl
• IUPAC Name: 2,6-dichlorobenzenecarbothioamide
• InChIKey: KGKGSIUWJCAFPX-UHFFFAOYSA-N
• INCHI: 1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
• Isomere SMILES: C1=CC(=C(C(=C1)Cl)C(=S)N)Cl
• Molekulargewicht: 206.09
• Reaxy-Rn: 1910353
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910353&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Imidothioic acids and derivatives Alkylthiols Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Imidothioic acid or derivatives - Alkylthiol - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: Amide 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO (Slightly), Methanol (Slightly)
• Flammpunkt (°F): 212°F
• Flammpunkt (°C): >100°C
• Schmelzpunkt (°C): 149-153 °C
• Molekulargewicht: 206.090 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 204.952 Da
• Monoisotopic Mass: 204.952 Da
• Topological Polar Surface Area: 58.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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