2,5-Dimethylphenylhydrazine hydrochloride - ≥98% , CAS No.56737-78-1

CAS: 56737-78-1 Cat. No.: D102568 Molecular Weight: 172.66 EC Number: 629-161-0

GRADE & PURITY ≥98%

Synonyms

EN300-07716 | FT-0610475 | Hydrazine, (2,5-dimethylphenyl)-, hydrochloride (1:1)OTHER CA INDEX NAMES:Hydrazine, (2,5-dimethylphenyl)-, monohydrochloride | MFCD00013382 | AM20061221 | DS-12726 | 2,5-Dimethylphenylhydrazine HCl | 2,5-Dimethylphenylhydrazine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EN300-07716 | FT-0610475 | Hydrazine, (2, 5-dimethylphenyl)-, hydrochloride (1:1)OTHER CA INDEX NAMES:Hydrazine, (2, 5-dimethylphenyl)-, monohydrochloride | MFCD00013382 | AM20061221 | DS-12726 | 2, 5-Dimethylphenylhydrazine HCl | 2, 5-Dimethylphenylhydrazine

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192477
• Canonical Smiles: CC1=CC(=C(C=C1)C)NN.Cl
• IUPAC Name: (2,5-dimethylphenyl)hydrazine;hydrochloride
• InChIKey: OMOFMSZLYCEIAF-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2.ClH/c1-6-3-4-7(2)8(5-6)10-9;/h3-5,10H,9H2,1-2H3;1H
• Isomeric SMILES: CC1=CC(=C(C=C1)C)NN.Cl
• WGK Germany: 3
• Alternate CAS: 613-85-4
• Molecular Weight: 172.66
• Reaxy-Rn: 6118180
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6118180&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: p-Xylenes Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Xylene - Phenylhydrazine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Hydrazine derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl 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): 205°C
• Molecular Weight: 172.650 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.077 Da
• Monoisotopic Mass: 172.077 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 103.000
• 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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