3,5-Dichlorobenzamide - ≥98% , CAS No.5980-23-4

CAS: 5980-23-4 Cat. No.: D589609 分子式: C₇H₅Cl₂NO 分子量: 190.02

グレード＆純度 ≥98%

Synonyms

MFCD00057644 | FT-0614553 | PS-3143 | SCHEMBL349820 | GS-0040 | DELNZTRPJTUOIP-UHFFFAOYSA-N | E82458 | Benzamide, 3,5-dichloro- | AKOS003519184 | 3,5-DICHLOROBENZAMIDE | 3,5-dichloro-benzamide | A832474 | DTXSID30208537

Storage

Room temperature,Desiccated

Shipped In

Normal

仕様

同義語

MFCD00057644 | FT-0614553 | PS-3143 | SCHEMBL349820 | GS-0040 | DELNZTRPJTUOIP-UHFFFAOYSA-N | E82458 | Benzamide, 3,5-dichloro- | AKOS003519184 | 3,5-DICHLOROBENZAMIDE | 3,5-dichloro-benzamide | A832474 | DTXSID30208537

仕様と純度

≥98%

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504753077

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504753077

カノニカル・スマイル

C1=C(C=C(C=C1Cl)Cl)C(=O)N

IUPAC Name

3,5-dichlorobenzamide

InChIKey

DELNZTRPJTUOIP-UHFFFAOYSA-N

INCHI

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

異性体SMILES

C1=C(C=C(C=C1Cl)Cl)C(=O)N

分子量

190.02

Reaxy-Rn

2249768

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2249768&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 3-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 3-halobenzoic acids and derivatives
• Alternative Parents: 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: 3-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,3-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
• 説明: This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-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

化学的性質と物理的性質

• 分子量: 190.020 g/mol
• XLogP3: 2.400
• 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: 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