Grundinformationen
- Standard-SMILES
c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1- InChIKey
KMVWNDHKTPHDMT-UHFFFAOYSA-N- Summenformel
- C18H12N6
- Durchschnittliche Molmasse
- 312,3 g/mol
- Monoisotopische Masse
- 312,11234438
Überblick
color reagent for serum iron; RN given refers to parent cpd
Namen und Bezeichner
- Bevorzugter Name
- 2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
- IUPAC
- 2,4,6-tripyridin-2-yl-1,3,5-triazine
- Lokaler Name
- 2,4,6-Tris(2-pyridyl)-s-triazin
- Englischer Name
- TPTZ
- Summenformel
- C18H12N6
- Molmasse
- 312.33
Namen und Synonyme
3682-35-72,4,6-Tripyridyl-s-triazineTPTZ (iron reagent)Tri-2-pyridyl-s-triazine1,3,5-Triazine, 2,4,6-tri-2-pyridinyl-2,4,6-Tri-2-pyridinyl-1,3,5-triazine2,4,6-Tripyridyl-1,3,5-triazineYG57D9P2VYNSC-112125DTXSID70631322,4,6-TRIS(2'-PYRIDYL)-1,3,5-TRIAZINERefChem:442985
Weitere Namen anzeigen
TPTZ 2,4,6-Tripyridyl-S-triazine2,4,6-Tri(2-pyridinyl)-1,3,5-triazineTPTZDK7649TPTZ【Dotite】JACS-3682-35-7TPTZ IRON REAGENTTIMTEC-BB SBB005932
DTXCID3039240222-965-92,4,6-Tri(2-pyridyl)-1,3,5-triazine2,4,6-Tris(2-pyridyl)-s-triazine2,4,6-Tri(2-pyridyl)-s-triazine2,4,6-Tris(2-pyridyl)-1,3,5-triazine2,4,6-tri(pyridin-2-yl)-1,3,5-triazineTerpyridyl-s-triazine
Datenbank-Bezeichner
- CAS
3682-35-7- PubChem CID
- 77258
- DTXSID
DTXSID7063132- ChEMBL
CHEMBL1450775- UNII
- YG57D9P2VY
- EC Number
- 222-965-9
- Nikkaji
- J8.200G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 77,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 323
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Triazines
Physical DescriptionSolid; [Merck Index] Light yellow powder with lumps; [Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 247 · 247-249 °C(lit.)
- Siedepunkt
- 442.26 °C · 442.26°C (rough estimate)
- Dichte
- 1.276 · 1.276
- Brechungsindex
- 1.457 · 1.4570 (estimate)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- 100 mg/mL, · methanol: 100 mg/mL, clear
- Aggregatzustand
- Powder
- pka
- 1.14 · 1.14±0.19(Predicted)
- Farbe
- Yellow
- Geruch (Odor)
- Odorless
- Merck
- 14 · 14,9750
- BRN
- 282581 · 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
- EPA chemische Informationen
- 1 · 1,3,5-Triazine, 2,4,6-tri-2-pyridinyl- (3682-35-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
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 SummaryAn irritant; May be fatal by ingestion; [Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29336990
- RTECS-Nr.
- XZ2050000
- risk_code
- 36/37/38
- Toxizität
- bird - wild,LD50,oral,5620ug/kg (5.62mg/kg),Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
UsesUsed in the spectrophotometric determination of iron; [Merck Index]
General Manufacturing Information1,3,5-Triazine, 2,4,6-tri-2-pyridinyl-: ACTIVE
Anwendungen
Verwenden2,4,6-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.
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