2-Hydrazinobenzoic acid hydrochloride - ≥98% , CAS No.52356-01-1

CAS: 52356-01-1 Cat. No.: H102563 Molecular Weight: 188.61 EC Number: 257-869-6

GRADE & PURITY ≥98%

Synonyms

AC-19632 | EN300-08025 | SY017791 | 2-hydrazinylbenzoic acid hydrochloride | 2-Hydrazinobenzoic acid hydrochloride | 2-hydrazino-benzoic acid hydrochloride | FT-0612511 | FT-0612513 | ZGNNOFKURIXXRF-UHFFFAOYSA-N | SCHEMBL1522753 | Benzoic acid, 2-hydrazin

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AC-19632 | EN300-08025 | SY017791 | 2-hydrazinylbenzoic acid hydrochloride | 2-Hydrazinobenzoic acid hydrochloride | 2-hydrazino-benzoic acid hydrochloride | FT-0612511 | FT-0612513 | ZGNNOFKURIXXRF-UHFFFAOYSA-N | SCHEMBL1522753 | Benzoic acid, 2-hydrazin

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187346
• Canonical Smiles: C1=CC=C(C(=C1)C(=O)O)NN.Cl
• IUPAC Name: 2-hydrazinylbenzoic acid;hydrochloride
• InChIKey: ZGNNOFKURIXXRF-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O2.ClH/c8-9-6-4-2-1-3-5(6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
• Isomeric SMILES: C1=CC=C(C(=C1)C(=O)O)NN.Cl
• WGK Germany: 3
• Molecular Weight: 188.61
• Reaxy-Rn: 3914600
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3914600&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Phenylhydrazines Benzoyl derivatives Vinylogous amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Phenylhydrazine - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Hydrazine derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• 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

Chemical and Physical Properties

• Melt Point(°C): 185°C
• Molecular Weight: 188.610 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 188.035 Da
• Monoisotopic Mass: 188.035 Da
• Topological Polar Surface Area: 75.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• 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

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