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

CAS: 1918-13-4 Cat. No.: C355781 Fórmula: C₇H₅Cl₂NS Peso molecular: 206.09 Número CE: 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

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504761205

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761205

Sorrisos canónicos

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)

SMILES isoméricas

C1=CC(=C(C(=C1)Cl)C(=S)N)Cl

Peso molecular

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
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: DMSO (Slightly), Methanol (Slightly)
• Ponto de inflamação (°F): 212°F
• Ponto de inflamação (°C): >100°C
• Ponto de fusão (°C): 149-153 °C
• Peso molecular: 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