HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
2,4,6-TRI(2-PYRIDYL)-1,3,5-TRIAZINE · 2,4,6-TRI(2-PYRIDYL)-S-TRIAZINE · TPTZ 2,4,6-Tripyridyl-S-triazine · 2,4,6-Tri(2-pyridinyl)-1,3,5-triazine · TPTZ · DK7649 · TPTZ【Dotite】 · JACS-3682-35-7
Identifiers & Physical Properties
| CAS No. | 3682-35-7 |
|---|---|
| Molecular formula | C18H12N6 |
| Average molar mass | 312.3 g/mol |
| Monoisotopic mass | 312.11234438 g/mol |
| SMILES | c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1 |
| InChIKey | KMVWNDHKTPHDMT-UHFFFAOYSA-N |
| PubChem CID | 77258 |
| ChEMBL | CHEMBL1450775 |
| EC No. | 222-965-9 |
| DTXSID | DTXSID7063132 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 77.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 3 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 323 |
| Chemical classes | Nitrogen Compounds -> Triazines |
| Physical Description | Solid[Merck Index] Light yellow powder with lumps[Aldrich MSDS] |
| Melting point | 247-249 °C(lit.) |
| Boiling point | 442.26°C (rough estimate) |
| Density | 1.276 |
| Refractive index | 1.4570 (estimate) |
| Storage conditions | Inert atmosphere,2-8°C |
| Solubility | methanol: 100 mg/mL, clear |
| pKa (acidity coefficient) | 1.14±0.19(Predicted) |
| Physical state | Powder |
| Color | Yellow |
| Odor | Odorless |
| Merck | 14,9750 |
| BRN | 282581 |
| InChI | InChI=1S/C18H12N6/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15/h1-12H |
| InChIKey | KMVWNDHKTPHDMT-UHFFFAOYSA-N |
| SMILES | N1=C(C2=NC=CC=C2)N=C(C2=NC=CC=C2)N=C1C1=NC=CC=C1 |
| EWG's Food Scores | 1 |
| FDA UNII | YG57D9P2VY |
| EPA Substance Registry System | 1,3,5-Triazine, 2,4,6-tri-2-pyridinyl- (3682-35-7) |
| UNSPSC Code | 12000000 |
| NACRES | NA.21 |
| GHS pictogram | GHS07 |
| Signal word | Danger |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36-37/39 |
| Water hazard class (WGK) | 3 |
| RTECS number | XZ2050000 |
| TSCA inventory status | TSCA listed |
| Customs code | 29336990 |
| Storage class | 11 - Combustible Solids |
| Toxicity | bird - wild,LD50,oral,5620ug/kg (5.62mg/kg),Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. |
Safety & Regulations
| GHS classification | WarningH315 (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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: 1,3,5-Triazine, 2,4,6-tri-2-pyridinyl-1,3,5-Triazine, 2,4,6-tri-2-pyridinyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | An irritantMay be fatal by ingestion[Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | XZ2050000 |
| Customs code | 29336990 |
| Toxicity | bird - wild,LD50,oral,5620ug/kg (5.62mg/kg),Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. |
| Risk statements (R) | 36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36-37/39 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
2,4,6-Tripyridyl-S-triazine (TPTZ), with the molecule formula of C18H12N6 is the most widely used analytical regent for the spectrophotometric determination of phenols, phonetic drugs which easily undergoes exudation under experimental conditions. It is widely used for the determination of Iron.
Uses
2,4,6-Tri(pyridin-2-yl)-1,3,5-triazine is a colorimetric reagent for the detection and measurement of iron concentration. It is employed along with ferrous ion to form a complex that allows for spectrophotometric determination of acetaminophen in samples of serum and plasma.