2,4,6-Trimethoxy-1,3,5-triazine - CAS 877-89-4

Catalog:	BB038634
Product Name:	2,4,6-Trimethoxy-1,3,5-triazine
CAS:	877-89-4
Synonyms:	2,4,6-trimethoxy-1,3,5-triazine

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Computed Properties

IUPAC Name:	2,4,6-trimethoxy-1,3,5-triazine
Description:	2,4,6-Trimethoxy-1,3,5-triazine (CAS# 877-89-4 ) is a useful research chemical.
Molecular Weight:	171.15
Molecular Formula:	C6H9N3O3
Canonical SMILES:	COC1=NC(=NC(=N1)OC)OC
InChI:	InChI=1S/C6H9N3O3/c1-10-4-7-5(11-2)9-6(8-4)12-3/h1-3H3
InChI Key:	DFUGJTBMQKRCPI-UHFFFAOYSA-N
Boiling Point:	281.2 °C at 760 mmHg
Purity:	98 %
Density:	1.212 g/cm³
LogP:	-0.10260

Publication Number	Title	Priority Date
JP-6947895-B1	Fire protection equipment	20201023
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PMID	Publication Date	Title	Journal
20968283	20101124	Selective determination of melamine in aqueous medium by molecularly imprinted solid phase extraction	Journal of agricultural and food chemistry
17032025	20061018	Reactions of hydrated electrons with triazine derivatives in aqueous medium	Journal of agricultural and food chemistry
14734848	20040201	Different packing in three polymorphs of 2,4,6-trimethoxy-1,3,5-triazine	Acta crystallographica. Section B, Structural science
11717478	20011201	Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates	Acta crystallographica. Section B, Structural science

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.06439116
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.06439116
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9