tert-Butylhydrazine Hydrochloride - ≥97% , CAS No.7400-27-3

CAS: 7400-27-3 Cat. No.: I135282 Molecular Weight: 124.61 Beilstein Registry Number: 4(3)1734 EC Number: 231-001-6

GRADE & PURITY ≥97%

Synonyms

tert-butylhydrazine hydrochloride salt | NSC59497 | NSC-59497 | FT-0605879 | t-butyl hydrazine HCl salt | Hydrazine, (1,1-dimethylethyl)-, hydrochloride (1:1) | tert-Butylhydrazinium chloride | t-BuNHNH2.HCl | B1195 | Express (pesticide) | Tert-butyl hydr

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

It was used in the synthesis of: diphosphinohydrazines 5-amino-1-tert-butyl-3-(p-chlorophenyl)-4-cyanopyrazole 1,3,4,5-tetrasubstituted pyrazole derivatives

Specifications

Synonyms

tert-butylhydrazine hydrochloride salt | NSC59497 | NSC-59497 | FT-0605879 | t-butyl hydrazine HCl salt | Hydrazine, (1, 1-dimethylethyl)-, hydrochloride (1:1) | tert-Butylhydrazinium chloride | t-BuNHNH2.HCl | B1195 | Express (pesticide) | Tert-butyl hydr

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504755564
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755564
• Canonical Smiles: CC(C)(C)NN.Cl
• IUPAC Name: tert-butylhydrazine;hydrochloride
• InChIKey: DDPWVABNMBRBFI-UHFFFAOYSA-N
• INCHI: 1S/C4H12N2.ClH/c1-4(2,3)6-5;/h6H,5H2,1-3H3;1H
• Isomeric SMILES: CC(C)(C)NN.Cl
• WGK Germany: 3
• RTECS: MV2841000
• Molecular Weight: 124.61
• Beilstein: 4(3)1734
• Reaxy-Rn: 3651224
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3651224&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Hydrazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylhydrazines
• Alternative Parents: Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylhydrazine - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylhydrazines. These are organonitrogen compounds that containing a hydrazine group to which an alkyl group is attached.
• 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: Solubility in water (almost transparency). Soluble in DMSO and methanol.
• Sensitivity: Moisture & Air sensitive
• Melt Point(°C): 191-194°C
• Molecular Weight: 124.610 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.077 Da
• Monoisotopic Mass: 124.077 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 35.300
• 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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