2-Chloro-4-hydrazinylbenzoic acid hydrochloride - ≥95% , CAS No.41112-74-7

CAS: 41112-74-7 Cat. No.: C193313 Summenformel: C₇H₈Cl₂N₂O₂ Molekulargewicht: 223.06 EG-Nummer: 890-200-1

GRADE & PURITY ≥95%

Synonyms

CUMAWIRZIUSYGJ-UHFFFAOYSA-N | MFCD25371650 | SCHEMBL2554663 | 2-Chloro-4-hydrazinobenzoic acid hydrochloride | SB80146 | 2-chloro-4-hydrazinylbenzoicacidhydrochloride | 2-chloro-4-hydrazinylbenzoic acid;hydrochloride | 2-CHLORO-4-HYDRAZINYLBENZOIC ACID HC

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

CUMAWIRZIUSYGJ-UHFFFAOYSA-N | MFCD25371650 | SCHEMBL2554663 | 2-Chloro-4-hydrazinobenzoic acid hydrochloride | SB80146 | 2-chloro-4-hydrazinylbenzoicacidhydrochloride | 2-chloro-4-hydrazinylbenzoic acid;hydrochloride | 2-CHLORO-4-HYDRAZINYLBENZOIC ACID HC

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=C(C=C1NN)Cl)C(=O)O.Cl

IUPAC Name

2-chloro-4-hydrazinylbenzoic acid;hydrochloride

InChIKey

CUMAWIRZIUSYGJ-UHFFFAOYSA-N

INCHI

1S/C7H7ClN2O2.ClH/c8-6-3-4(10-9)1-2-5(6)7(11)12;/h1-3,10H,9H2,(H,11,12);1H

Isomere SMILES

C1=CC(=C(C=C1NN)Cl)C(=O)O.Cl

Molekulargewicht

223.06

Reaxy-Rn

9582497

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9582497&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 Halobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: Halobenzoic acids
• Alternative Parents: 2-halobenzoic acids Benzoic acids Phenylhydrazines Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Halogenated fatty acids Chlorobenzenes Branched fatty acids Unsaturated fatty acids Vinylogous halides Vinyl chlorides Monocarboxylic acids and derivatives Chloroalkenes Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Phenylhydrazine - Benzoyl - Halogenated fatty acid - Halobenzene - Chlorobenzene - Branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Vinylogous halide - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrazine derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 223.050 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 221.996 Da
• Monoisotopic Mass: 221.996 Da
• Topological Polar Surface Area: 75.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 177.000
• 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: 2

XLogP3