(2-Chloro-4-(trifluoromethyl)phenyl)hydrazine hydrochloride - ≥98% , CAS No.1029649-46-4

CAS: 1029649-46-4 Cat. No.: C178877 Molecular Weight: 247.05 EC Number: 976-351-7

GRADE & PURITY ≥98%

Synonyms

AKOS015888289 | (2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)HYDRAZINE HCL | [2-chloro-4-(trifluoromethyl)phenyl]hydrazine hydrochloride | DTXSID60660169 | MFCD03094209 | FT-0746066 | 2-Chloro-4-(trifluoromethyl)phenylhydrazine hydrochloride | SY041115 | 1029649-4

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AKOS015888289 | (2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)HYDRAZINE HCL | [2-chloro-4-(trifluoromethyl)phenyl]hydrazine hydrochloride | DTXSID60660169 | MFCD03094209 | FT-0746066 | 2-Chloro-4-(trifluoromethyl)phenylhydrazine hydrochloride | SY041115 | 1029649-4

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1C(F)(F)F)Cl)NN.Cl
• IUPAC Name: [2-chloro-4-(trifluoromethyl)phenyl]hydrazine;hydrochloride
• InChIKey: IPMASRPDUAIXJX-UHFFFAOYSA-N
• INCHI: 1S/C7H6ClF3N2.ClH/c8-5-3-4(7(9,10)11)1-2-6(5)13-12;/h1-3,13H,12H2;1H
• Isomeric SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)NN.Cl
• Alternate CAS: 86398-98-3
• Molecular Weight: 247.05
• Reaxy-Rn: 30832503
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30832503&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Phenylhydrazines Chlorobenzenes Aryl chlorides Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic zwitterions Organic chloride salts Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Phenylhydrazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Alkyl fluoride - Organic zwitterion - Organic salt - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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: 247.040 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 245.994 Da
• Monoisotopic Mass: 245.994 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 174.000
• 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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