2-Chlorobenzohydrazide - ≥98% , CAS No.5814-05-1

CAS: 5814-05-1 Cat. No.: C153812 Summenformel: C₇H₇ClN₂O Molekulargewicht: 170.6 Beilstein Registry Number: 9(3)1341 EG-Nummer: 227-380-2

GRADE & PURITY ≥98%

Synonyms

2-Chlorobenzoic hydrazide, 98% | 2ClPhCON2 | SY048341 | 2-Chlorobenzoic hydrazide | Z57248585 | (2-Chlorobenzoyl)hydrazine | 2-Chlorobenzoylhydrazine | BBL008395 | BRN 0180020 | AKOS000263762 | BB 0240638 | NSC 522531 | FT-0635865 | 5T829N5VTX | DTXSID402

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

2-Chlorobenzoic hydrazide, 98% | 2ClPhCON2 | SY048341 | 2-Chlorobenzoic hydrazide | Z57248585 | (2-Chlorobenzoyl)hydrazine | 2-Chlorobenzoylhydrazine | BBL008395 | BRN 0180020 | AKOS000263762 | BB 0240638 | NSC 522531 | FT-0635865 | 5T829N5VTX | DTXSID402

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488185796
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185796
• Kanonisches Lächeln: C1=CC=C(C(=C1)C(=O)NN)Cl
• IUPAC Name: 2-chlorobenzohydrazide
• InChIKey: KPPNLSKVTKSSTG-UHFFFAOYSA-N
• INCHI: 1S/C7H7ClN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)
• Isomere SMILES: C1=CC=C(C(=C1)C(=O)NN)Cl
• Molekulargewicht: 170.6
• Beilstein: 9(3)1341
• Reaxy-Rn: 972229
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972229&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Halobenzoic acids and derivatives
          • Ebene6 2-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 2-halobenzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Carboxylic acid hydrazides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 118 °C
• Molekulargewicht: 170.590 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.025 Da
• Monoisotopic Mass: 170.025 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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