1,3,5-Triazinane-1,3,5-triol

Base Information

• Chemical Name: 1,3,5-Triazinane-1,3,5-triol
• CAS No.: 62479-72-5
• Molecular Formula: C3H9N3O3
• Molecular Weight: 135.1219
• DSSTox Substance ID: DTXSID90978062
• Nikkaji Number: J253.890C
• Wikidata: Q27111522
• Metabolomics Workbench ID: 54151
• Mol file: 62479-72-5.mol

Synonyms:1,3,5-triazinane-1,3,5-triol;1,3,5-trihydroxy-1,3,5-triazinane;CHEBI:30261;SCHEMBL2799104;DTXSID90978062;Hexahydro-1,3,5-trihydroxy-1,3,5-triazine;hexahydro-1,3,5-trihydroxy-1 ,3,5-triazine;Q27111522

Chemical Property of 1,3,5-Triazinane-1,3,5-triol

Chemical Property:

• Vapor Pressure: 2.69E-08mmHg at 25°C
• Melting Point: 127-129oC
• Boiling Point: 421.8°Cat760mmHg
• Flash Point: 305.2°C
• PSA: 70.41000
• Density: 1.913g/cm³
• LogP: -0.43820
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 135.06439116
• Heavy Atom Count: 9
• Complexity: 69.3

Purity/Quality:

97% ^*data from raw suppliers

Formaldoxime trimer hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1N(CN(CN1O)O)O
• Uses: Formaldoxime trimer hydrochloride has been used in the synthesis of isoxazolidines.

Technology Process of 1,3,5-Triazinane-1,3,5-triol

There total 1 articles about 1,3,5-Triazinane-1,3,5-triol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 61.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) → 1,3,5‐trihydroxy‐1,3,5‐triazinan‐1‐ium chloride (6286-29-9,62479-72-5)

Guidance literature:

With hydroxylamine hydrochloride; In water; at 0 - 20 ℃; for 2.08h; Temperature;

DOI:10.1021/acs.inorgchem.0c03362

Reference yield:

formaldoxime trimer hydrochloride (62479-72-5) → formaldoxime (75-17-2)

Guidance literature:

at 49.84 - 64.84 ℃;

DOI:10.1016/j.saa.2013.11.017

upstream raw materials:

formaldehyd

Downstream raw materials:

formaldoxime