2,4,6-Trimethoxy-1,3,5-triazine
Basic information
- CAS
877-89-4- Standard SMILES
COc1nc(OC)nc(OC)n1- InChIKey
DFUGJTBMQKRCPI-UHFFFAOYSA-N- Molecular formula
- C6H9N3O3
- Average molar mass
- 171.15 g/mol
- Monoisotopic mass
- 171.06439116
Names & identifiers
- Preferred name
- 2,4,6-Trimethoxy-1,3,5-triazine
- IUPAC
- 2,4,6-trimethoxy-1,3,5-triazine
- English name
- 2,4,6-Trimethoxy-1,3,5-triazine
- Molecular formula
- C6H9N3O3
- Molecular weight
- 171.15
Names & synonyms
2,4,6-Trimethoxy-1,3,5-triazine877-89-41,3,5-Triazine, 2,4,6-trimethoxy-YA2JZ9P8ECEINECS 212-896-2AI3-08193DTXSID90236573RefChem:442941DTXCID20159064212-896-2trimethoxy-1,3,5-triazinemethyl cyanurate
Show more names
2,4,6-Trimethoxy-1,3,5-triazine?New
Trimethyl cyanurates-Triazine, 2,4,6-trimethoxy-MFCD001428092,4,6-TRIMETHOXY-S-TRIAZINE2,4,6-Trimethoxy-[1,3,5]-triazinUNII-YA2JZ9P8ECSCHEMBL33145CHEMBL189654
Database identifiers
- CAS
877-89-4- PubChem CID
- 13419
- DTXSID
DTXSID90236573- ChEMBL
CHEMBL189654- UNII
- YA2JZ9P8EC
- EC Number
- 212-896-2
- Nikkaji
- J7.153F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 99.4
Physicochemical properties
- Melting point
- 135 · 135-137 °C(lit.)
- Boiling point
- 301.12 °C · 301.12°C (rough estimate)
- Density
- 1.3994 · 1.3994 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 1.8 · 1.80±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C6H9N3O3/c1-10-4-7-5(11-2)9-6(8-4)12-3/h1-3H3
- InChIKey
- DFUGJTBMQKRCPI-UHFFFAOYSA-N
- SMILES
- N1=C(OC)N=C(OC)N=C1OC
- FDA UNII
- 2 JZ9P8EC · YA2JZ9P8EC
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2,4,6-Trimethoxy-1,3,5-triazine was used to investigate the molecularly imprinted solid phase extraction (MISPE) for the isolation of melamine (ML) in food products.
General Description2,4,6-Trimethoxy-1,3,5-triazine (TMT) is a triazine derivative. It exists in three different polymorphic forms: α-, β- and γ-. 2,4,6-Trimethoxy-1,3,5-triazine molecules are planar in all the three polymorphs. Polymorphic forms differ in the mode of packing of the molecules in the crystal. Kinetics and mechanism of the reaction of radiolytically produced hydrated electron with TMT using pulse and steady-state radiolysis techniques has been studied. TMT undergoes methyl transfer in the melt and in the solid-state, to afford, 2,4,6-trioxo-1,3,5-trimethylazine.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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