3-Cyanophenylhydrazine, HCl - ≥98% , CAS No.2881-99-4

CAS: 2881-99-4 Cat. No.: C183445 Molecular Weight: 169.6 EC Number: 812-164-8

GRADE & PURITY ≥98%

Synonyms

3-Cyanophenylhydrazine HCl | AKOS001476048 | 3-Cyanophenylhydrazine hydrochloride | MFCD03094642 | Benzonitrile, 3-hydrazino-, monohydrochloride | FT-0688201 | F10001 | SY002558 | A819614 | 3-Hydrazinylbenzonitrile--hydrogen chloride (1/1) | AC-5757 | OLR

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3-Cyanophenylhydrazine HCl | AKOS001476048 | 3-Cyanophenylhydrazine hydrochloride | MFCD03094642 | Benzonitrile, 3-hydrazino-, monohydrochloride | FT-0688201 | F10001 | SY002558 | A819614 | 3-Hydrazinylbenzonitrile--hydrogen chloride (1/1) | AC-5757 | OLR

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC(=C1)NN)C#N.Cl
• IUPAC Name: 3-hydrazinylbenzonitrile;hydrochloride
• InChIKey: OLRXCKFWRROJFZ-UHFFFAOYSA-N
• INCHI: 1S/C7H7N3.ClH/c8-5-6-2-1-3-7(4-6)10-9;/h1-4,10H,9H2;1H
• Isomeric SMILES: C1=CC(=CC(=C1)NN)C#N.Cl
• Molecular Weight: 169.6
• Reaxy-Rn: 8857615
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8857615&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

• Sensitivity: Air sensitive;Moisture Sensitive
• 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: 146.000
• 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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