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Dimethyl 2,2'-Bipyridine-4,4'-dicarboxylate

Catalog Number
ACM71071460-1
CAS Number
71071-46-0
Product Name
Dimethyl 2,2'-Bipyridine-4,4'-dicarboxylate
Structure
Category
Ligands for Functional Metal Complexes; Dye-Sensitized Solar Cell (DSSC) Materials
Synonyms
2,2'-Bipyridine-4,4'-dicarboxylic Acid Dimethyl Ester
4,4'-Bis(methoxycarbonyl)-2,2'-bipyridine
4,4'-Dimethoxycarbonyl-2,2'-bipyridine
IUPAC Name
methyl 2-(4-methoxycarbonylpyridin-2-yl)pyridine-4-carboxylate
Molecular Weight
272.26
Molecular Formula
C14H12N2O4
Canonical SMILES
COC(=O)C1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)OC
InChI
InChI=1S/C14H12N2O4/c1-19-13(17)9-3-5-15-11(7-9)12-8-10(4-6-16-12)14(18)20-2/h3-8H,1-2H3
InChI Key
HBWBVIDKBKOVEX-UHFFFAOYSA-N
Melting Point
210 °C
Purity
>98.0%T
Appearance
White to Almost white powder to crystal
Complexity
327
Covalently-Bonded Unit Count
1
Exact Mass
272.079707g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
20
MDL Number
MFCD02669916
Monoisotopic Mass
272.079707g/mol
NSC Number
297840
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
5
Signal Word
Warning
XLogP3
1.2
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