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Methyl 2,2':6',2''-Terpyridine-4'-carboxylate

Catalog Number
ACM247058066
CAS Number
247058-06-6
Product Name
Methyl 2,2':6',2''-Terpyridine-4'-carboxylate
Structure
Category
Ligands for Functional Metal Complexes; Dye-Sensitized Solar Cell (DSSC) Materials
Synonyms
2,2':6',2''-Terpyridine-4'-carboxylic Acid Methyl Ester
4'-(Methoxycarbonyl)-2,2':6',2''-terpyridine
IUPAC Name
methyl 2,6-dipyridin-2-ylpyridine-4-carboxylate;
Molecular Weight
291.31
Molecular Formula
C17H13N3O2
Canonical SMILES
COC(=O)C1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3;
InChI
InChI=1S/C17H13N3O2/c1-22-17(21)12-10-15(13-6-2-4-8-18-13)20-16(11-12)14-7-3-5-9-19-14/h2-11H,1H3
InChI Key
GEXSUZVSFVGSMZ-UHFFFAOYSA-N
Melting Point
210 °C
Purity
>98.0%HPLC
Appearance
White to Almost white powder to crystal
Storage
Keep in dark place.
Complexity
351
Covalently-Bonded Unit Count
1
Exact Mass
291.101g/mol
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
22
MDL Number
MFCD11042546
Monoisotopic Mass
291.101g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
4
Signal Word
Warning
Topological Polar Surface Area
65A^2
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