3-Chloro-p-tolylhydrazine hydrochloride - ≥97% , CAS No.54812-56-5

CAS: 54812-56-5 Cat. No.: C134208 Molecular Weight: 193.07 EC Number: 259-357-8 PubChem CID: 3085075

GRADE & PURITY ≥97%

Synonyms

3-Chloro-4-methylphenylhydrazineHydrochloride | MFCD00012936 | (3-Chloro-4-methylphenyl)hydrazine HCl | DTXSID70203309 | F11417 | 3-Chloro-4-methylphenylhydrazine HCl | (3-chloro-4-methylphenyl)hydrazine;hydrochloride | 3-Chloro-p-tolylhydrazine hydrochlo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3-Chloro-4-methylphenylhydrazineHydrochloride | MFCD00012936 | (3-Chloro-4-methylphenyl)hydrazine HCl | DTXSID70203309 | F11417 | 3-Chloro-4-methylphenylhydrazine HCl | (3-chloro-4-methylphenyl)hydrazine;hydrochloride | 3-Chloro-p-tolylhydrazine hydrochlo

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488194284
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194284
• Canonical Smiles: CC1=C(C=C(C=C1)NN)Cl.Cl
• IUPAC Name: (3-chloro-4-methylphenyl)hydrazine;hydrochloride
• InChIKey: DQDFVQJOXLGGBL-UHFFFAOYSA-N
• INCHI: 1S/C7H9ClN2.ClH/c1-5-2-3-6(10-9)4-7(5)8;/h2-4,10H,9H2,1H3;1H
• Isomeric SMILES: CC1=C(C=C(C=C1)NN)Cl.Cl
• WGK Germany: 3
• PubChem CID: 3085075
• Molecular Weight: 193.07

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: Toluenes Chlorobenzenes Aryl chlorides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Toluene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Organochloride - Organohalogen compound - 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

• Molecular Weight: 193.070 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.022 Da
• Monoisotopic Mass: 192.022 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 108.000
• 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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