4-Cyanophenylhydrazine hydrochloride - ≥97% , CAS No.2863-98-1

CAS: 2863-98-1 Cat. No.: C102562 Molecular Weight: 169.61 EC Number: 608-230-9

GRADE & PURITY ≥97%

Synonyms

N'-(4-Cyanophenyl)-hydrazinium hydrochloride | BCP27837 | H1425 | (4-cyanophenyl)-hydrazine hydrochloric acid salt | HY-41677 | A1-00297 | A5413 | DTXSID90583751 | AM20061159 | SB10465 | DS-12875 | Benzonitrile, 4-hydrazino-, monohydrochloride | Benzonitr

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

N'-(4-Cyanophenyl)-hydrazinium hydrochloride | BCP27837 | H1425 | (4-cyanophenyl)-hydrazine hydrochloric acid salt | HY-41677 | A1-00297 | A5413 | DTXSID90583751 | AM20061159 | SB10465 | DS-12875 | Benzonitrile, 4-hydrazino-, monohydrochloride | Benzonitr

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504768202
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768202
• Canonical Smiles: C1=CC(=CC=C1C#N)NN.Cl
• IUPAC Name: 4-hydrazinylbenzonitrile;hydrochloride
• InChIKey: UXDLLFIRCVPPQP-UHFFFAOYSA-N
• INCHI: 1S/C7H7N3.ClH/c8-5-6-1-3-7(10-9)4-2-6;/h1-4,10H,9H2;1H
• Isomeric SMILES: C1=CC(=CC=C1C#N)NN.Cl
• WGK Germany: 3
• Molecular Weight: 169.61
• Reaxy-Rn: 3565486
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3565486&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: Benzonitriles Nitriles Organopnictogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Organonitrogen 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

• Solubility: Soluble in methanol
• Sensitivity: Moisture sensitive
• Flash Point(°C): >110°C
• Melt Point(°C): 241-244°C
• Molecular Weight: 169.610 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 169.041 Da
• Monoisotopic Mass: 169.041 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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