3,4-Dichlorobenzamide - ≥98%(HPLC) , CAS No.2670-38-4

CAS: 2670-38-4 Cat. No.: D154878 Formule: C₇H₅Cl₂NO Poids moléculaire: 190.02

GRADE & PURITY ≥98%(HPLC)

Synonyms

MS-8979 | CHEBI:194761 | 3,4-dichloro benzamide | AKOS008937663 | F19557 | NSC23779 | NSC-23779 | D4474 | 3,4-Dichlorobenzamide | SCHEMBL367843 | A818564 | Benzamide,3,4-dichloro- | NSC 23779 | DTXSID00181207 | MFCD00053009 | FT-0614226

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

MS-8979 | CHEBI:194761 | 3,4-dichloro benzamide | AKOS008937663 | F19557 | NSC23779 | NSC-23779 | D4474 | 3,4-Dichlorobenzamide | SCHEMBL367843 | A818564 | Benzamide,3,4-dichloro- | NSC 23779 | DTXSID00181207 | MFCD00053009 | FT-0614226

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

504757128

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757128

Sourires canoniques

C1=CC(=C(C=C1C(=O)N)Cl)Cl

IUPAC Name

3,4-dichlorobenzamide

InChIKey

XURBWYCGQQXTHJ-UHFFFAOYSA-N

INCHI

1S/C7H5Cl2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)

Isomères SMILES

C1=CC(=C(C=C1C(=O)N)Cl)Cl

Poids moléculaire

190.02

Reaxy-Rn

3089065

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3089065&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: 3-halobenzoic acids and derivatives Benzamides Dichlorobenzenes Benzoyl derivatives Aryl chlorides Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
• 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

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 142-146℃
• Poids moléculaire: 190.020 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 188.975 Da
• Monoisotopic Mass: 188.975 Da
• Topological Polar Surface Area: 43.100 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