2,4-Dichlorothiobenzamide - ≥95% , CAS No.2775-38-4

CAS: 2775-38-4 Cat. No.: B301192 Formule: C₇H₅Cl₂NS Poids moléculaire: 206.09 Numéro CE: 674-690-2

GRADE & PURITY ≥95%

Synonyms

WDNBLWURITYPQL-UHFFFAOYSA-N | DTXSID10950441 | AS-31112 | HMS565F16 | SB77619 | 2,4-dichlorobenzene-1-carbothioamide | Benzenecarbothioamide, 2,4-dichloro- | C7H5Cl2NS | SW6AW52BK2 | MFCD00173930 | 2,4-dichlorobenzenecarbothioamide | 2,4-Dichlorobenzothio

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

WDNBLWURITYPQL-UHFFFAOYSA-N | DTXSID10950441 | AS-31112 | HMS565F16 | SB77619 | 2,4-dichlorobenzene-1-carbothioamide | Benzenecarbothioamide, 2,4-dichloro- | C7H5Cl2NS | SW6AW52BK2 | MFCD00173930 | 2,4-dichlorobenzenecarbothioamide | 2,4-Dichlorobenzothio

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 504761206
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761206
• Sourires canoniques: C1=CC(=C(C=C1Cl)Cl)C(=S)N
• IUPAC Name: 2,4-dichlorobenzenecarbothioamide
• InChIKey: WDNBLWURITYPQL-UHFFFAOYSA-N
• INCHI: 1S/C7H5Cl2NS/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
• Isomères SMILES: C1=CC(=C(C=C1Cl)Cl)C(=S)N
• Poids moléculaire: 206.09
• Reaxy-Rn: 2209127
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209127&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 Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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: Not available

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

Propriétés chimiques et physiques

• Poids moléculaire: 206.090 g/mol
• XLogP3: 2.700
• 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: 163.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2775-38-4, the molecular formula is C7H5Cl2NS, and the molecular weight is 206.09 g/mol. InChIKey WDNBLWURITYPQL-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.