(5-Chloro-2-methoxyphenyl)hydrazine hydrochloride - Reagent grade , CAS No.5446-16-2

CAS: 5446-16-2 Cat. No.: C479164 Molecular Weight: 172.613646 EC Number: 899-411-3

GRADE & PURITY Reagent Grade

Synonyms

SCHEMBL966892 | 5-chloro-2-methoxyphenylhydrazine hcl | FT-0692694 | (5-Chloro-2-methoxyphenyl)hydrazine hydrochloride, AldrichCPR | AM9798 | 1-(5-chloro-2-methoxyphenyl)hydrazine | MFCD03196500 | 5-Chloro-2-methoxyphenylhydrazine, HCl | A21620 | DTXSID00

Storage

Room temperature

Specifications

Synonyms

SCHEMBL966892 | 5-chloro-2-methoxyphenylhydrazine hcl | FT-0692694 | (5-Chloro-2-methoxyphenyl)hydrazine hydrochloride, AldrichCPR | AM9798 | 1-(5-chloro-2-methoxyphenyl)hydrazine | MFCD03196500 | 5-Chloro-2-methoxyphenylhydrazine, HCl | A21620 | DTXSID00

Specifications & Purity

Reagent grade

Legal Information

Product of ChemBridge Corp.

Storage

Room temperature

Grade

Reagent Grade

Names and Identifiers

• Canonical Smiles: COC1=C(C=C(C=C1)Cl)NN.Cl
• IUPAC Name: (5-chloro-2-methoxyphenyl)hydrazine;hydrochloride
• InChIKey: GOMLDPWKBMXMEX-UHFFFAOYSA-N
• INCHI: 1S/C7H9ClN2O.ClH/c1-11-7-3-2-5(8)4-6(7)10-9;/h2-4,10H,9H2,1H3;1H
• Isomeric SMILES: COC1=C(C=C(C=C1)Cl)NN.Cl
• Molecular Weight: 172.613646
• Reaxy-Rn: 3713778
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3713778&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyanilines
• Alternative Parents: Phenylhydrazines Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyaniline - Anisole - Phenol ether - Phenylhydrazine - Methoxybenzene - Phenoxy compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy 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: 209.070 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 208.017 Da
• Monoisotopic Mass: 208.017 Da
• Topological Polar Surface Area: 47.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 123.000
• 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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