Formaldoxime trimer hydrochloride - ≥95% , CAS No.62479-72-5

CAS: 62479-72-5 Cat. No.: F334117 Molecular Weight: 135.12 (free base basis) Beilstein Registry Number: 3690722 EC Number: 627-742-3

GRADE & PURITY ≥95%

Synonyms

AS-63870 | 8-CHLORO-4-HYDROXY-QUINOLINE-3-CARBOXYLICACIDETHYLESTER | Formaldoxime trimer hydrochloride | FORMALDOXIMETRIMERHYDROCHLORIDE | FT-0690846 | A901070 | 1,3,5-Triazine, hexahydro-1,3,5-trihydroxy-, hydrochloride | MFCD00012778 | AKOS024348827 | 6

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AS-63870 | 8-CHLORO-4-HYDROXY-QUINOLINE-3-CARBOXYLICACIDETHYLESTER | Formaldoxime trimer hydrochloride | FORMALDOXIMETRIMERHYDROCHLORIDE | FT-0690846 | A901070 | 1, 3, 5-Triazine, hexahydro-1, 3, 5-trihydroxy-, hydrochloride | MFCD00012778 | AKOS024348827 | 6

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504767976
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767976
• Canonical Smiles: C1N(CN(CN1O)O)O.Cl
• IUPAC Name: 1,3,5-trihydroxy-1,3,5-triazinane;hydrochloride
• InChIKey: VRHJXINSVWQXEB-UHFFFAOYSA-N
• INCHI: 1S/C3H9N3O3.ClH/c7-4-1-5(8)3-6(9)2-4;/h7-9H,1-3H2;1H
• Isomeric SMILES: C1N(CN(CN1O)O)O.Cl
• WGK Germany: 3
• RTECS: TQ0300000
• UN Number: 2811
• Packing Group: II
• Molecular Weight: 135.12 (free base basis)
• Beilstein: 3690722
• Reaxy-Rn: 3690722
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3690722&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazinanes
      • Subclass 1,3,5-triazinanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazinanes
• Subclass: 1,3,5-triazinanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazinanes
• Alternative Parents: Polyols N-organohydroxylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3,5-triazinane - Azacycle - N-organohydroxylamine - Polyol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3,5-triazinanes. These are triazinanes having three nitrogen ring atoms at the 1-, 3-, and 5- positions.
• 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: Moisture sensitive
• Refractive Index: n20D1.77
• Melt Point(°C): 128° C (dec.)
• Molecular Weight: 171.580 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 171.041 Da
• Monoisotopic Mass: 171.041 Da
• Topological Polar Surface Area: 70.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 69.300
• 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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