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TRIMETHYL 2,2':6',2''-TERPYRIDINE-4,4',4''-TRICARBOXYLATE is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 330680-46-1 Structure
  • Basic information

    1. Product Name: TRIMETHYL 2,2':6',2''-TERPYRIDINE-4,4',4''-TRICARBOXYLATE
    2. Synonyms: TRIMETHYL 2,2':6',2''-TERPYRIDINE-4,4',4''-TRICARBOXYLATE;4,4',4''-trimethoxycarbonyl-2,2':6',2''-terpyridine;methyl 2,6-bis(4-methoxycarbonylpyridin-2-yl)pyridine-4-carboxylate
    3. CAS NO:330680-46-1
    4. Molecular Formula: C21H17N3O6
    5. Molecular Weight: 407.39
    6. EINECS: N/A
    7. Product Categories: Building Blocks;C13 to C40;Chemical Synthesis;Heterocyclic Building Blocks;Pyridines
    8. Mol File: 330680-46-1.mol
  • Chemical Properties

    1. Melting Point: 239.0 to 243.0 °C
    2. Boiling Point: 603.8 °C at 760 mmHg
    3. Flash Point: 319 °C
    4. Appearance: /
    5. Density: 1.3 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 0.47±0.42(Predicted)
    10. CAS DataBase Reference: TRIMETHYL 2,2':6',2''-TERPYRIDINE-4,4',4''-TRICARBOXYLATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: TRIMETHYL 2,2':6',2''-TERPYRIDINE-4,4',4''-TRICARBOXYLATE(330680-46-1)
    12. EPA Substance Registry System: TRIMETHYL 2,2':6',2''-TERPYRIDINE-4,4',4''-TRICARBOXYLATE(330680-46-1)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 330680-46-1(Hazardous Substances Data)

330680-46-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 330680-46-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,3,0,6,8 and 0 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 330680-46:
(8*3)+(7*3)+(6*0)+(5*6)+(4*8)+(3*0)+(2*4)+(1*6)=121
121 % 10 = 1
So 330680-46-1 is a valid CAS Registry Number.

330680-46-1 Well-known Company Product Price

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  • TCI America

  • (T2959)  Trimethyl 2,2':6',2''-Terpyridine-4,4',4''-tricarboxylate  >96.0%(HPLC)

  • 330680-46-1

  • 200mg

  • 1,290.00CNY

  • Detail
  • Aldrich

  • (690163)  Trimethyl2,2′:6′,2″-terpyridine-4,4′,4″-tricarboxylate  98%

  • 330680-46-1

  • 690163-100MG

  • 2,454.66CNY

  • Detail
  • Aldrich

  • (690163)  Trimethyl2,2′:6′,2″-terpyridine-4,4′,4″-tricarboxylate  98%

  • 330680-46-1

  • 690163-500MG

  • 8,494.20CNY

  • Detail
  • Aldrich

  • (690163)  Trimethyl2,2′:6′,2″-terpyridine-4,4′,4″-tricarboxylate  98%

  • 330680-46-1

  • 690163-100MG

  • 2,454.66CNY

  • Detail
  • Aldrich

  • (690163)  Trimethyl2,2′:6′,2″-terpyridine-4,4′,4″-tricarboxylate  98%

  • 330680-46-1

  • 690163-500MG

  • 8,494.20CNY

  • Detail
  • Aldrich

  • (690163)  Trimethyl2,2′:6′,2″-terpyridine-4,4′,4″-tricarboxylate  98%

  • 330680-46-1

  • 690163-100MG

  • 2,454.66CNY

  • Detail
  • Aldrich

  • (690163)  Trimethyl2,2′:6′,2″-terpyridine-4,4′,4″-tricarboxylate  98%

  • 330680-46-1

  • 690163-500MG

  • 8,494.20CNY

  • Detail
  • Aldrich

  • (690163)  Trimethyl2,2′:6′,2″-terpyridine-4,4′,4″-tricarboxylate  98%

  • 330680-46-1

  • 690163-100MG

  • 2,454.66CNY

  • Detail
  • Aldrich

  • (690163)  Trimethyl2,2′:6′,2″-terpyridine-4,4′,4″-tricarboxylate  98%

  • 330680-46-1

  • 690163-500MG

  • 8,494.20CNY

  • Detail

330680-46-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2,6-bis(4-methoxycarbonylpyridin-2-yl)pyridine-4-carboxylate

1.2 Other means of identification

Product number -
Other names 4,4',4''-trimethoxycarbonyl-2,2':6',2''-terpyridine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:330680-46-1 SDS

330680-46-1Relevant articles and documents

New terpyridine-based ruthenium complexes for dye sensitized solar cells applications

Koyyada, Ganesh,Kumar Ch, Pavan,Salvatori, Paolo,Marotta, Gabriele,Lobello, Maria Grazia,Bizzarri, Olivia,De Angelis, Filippo,Malapaka, Chandrasekharam

, p. 158 - 166 (2016)

Three new terpyridine-based ruthenium complexes, named as MC124, MC125 and MC127, were synthesized and employed as sensitizers in dye sensitized solar cells. The MC dyes were characterized with experimental techniques followed by theoretical calculations. The promising optical properties with higher molar extinction coefficients compared to N749 prototypical dye, and suitable positioning of energy levels prompted us to employ these dyes in working devices. When used in conjunction with liquid I-/I3- redox electrolyte, the MC dyes have shown modest performances, with a maximum PCE of 2.3% reached with MC124 in combination of CDCA used as co-adsorbent.

A method of manufacturing a sensitizing dye-based optical ruthenic

-

Paragraph 0058, (2017/03/18)

PROBLEM TO BE SOLVED: To provide a method for producing a ruthenium photosensitizing dye that can improve production efficiency of the ruthenium photosensitizing dye.SOLUTION: The method for producing a ruthenium photosensitizing dye by coordinating a terpyridine compound and thiocyan into ruthenium includes a first dissolving step of dissolving a ruthenium complex composed of a dichlororuthenium(p-cymene) dimer and the like and a terpyridine compound in a solvent, a second dissolving step of dissolving a thiocyanate in the solvent and a reaction step of reacting an intermediate produced by reacting the ruthenium complex and the terpyridine compound in the solvent with the thiocyanate to produce a ruthenium photosensitizing dye.

4,4′-Unsymmetrically substituted-2,2′-bipyridines: Novel bidentate ligands on ruthenium(II) [3 + 2 + 1] mixed ligand complexes for efficient sensitization of nanocrystalline TiO2 in dye solar cells

Chandrasekharam,Kumar, Ch. Pavan,Singh, Surya Prakash,Anusha,Bhanuprakash,Islam,Han

, p. 26035 - 26046 (2013/12/04)

A series of five new ruthenium [3 + 2 + 1] complexes coded as MC107-MC111, with novel unsymmetrical bipyridines as ancillary ligands and terpyridine tricarboxylic acid as an anchoring ligand have been successfully synthesized and characterized by 1H NMR, 13C NMR and UV-Visible spectrometry. Improvement in the molar extinction coefficient of all these sensitizers was observed compared with reference standard N749 dye under comparable conditions. Among all the new sensitizers MC108 exhibited a maximum solar to electrical conversion efficiency of 5.573% (Jsc = 16.81 mA cm-2, Voc = 0.50 V. FF = 0.65) under standard global AM 1.5 G solar condition, when compared to the N749 dye with an efficiency of 6.29% (Jsc = 13.74 mA cm-2, Voc = 0.67 V. FF = 0.68) under similar fabrication and evaluation conditions. Density functional theory (DFT) and time-dependent DFT calculations are carried out for MC107-MC111 to understand their structural, electronic and photophysical properties.

A new familiy of heteroleptic ruthenium(ii) polypyridyl complexes for sensitization of nanocrystalline TiO2 films

Giribabu, Lingamallu,Bessho, Takeru,Srinivasu, Mareedu,Vijaykumar, Challuri,Soujanya, Yarasi,Reddy, Veeranagari Gopal,Reddy, Paidi Yella,Yum, Jun-Ho,Graetzel, Michael,Nazeeruddin, Mohammad Khaja

experimental part, p. 4497 - 4504 (2011/06/22)

Two new heteroleptic ruthenium(ii) photosensitizers that contains 2,2′;6,2′′-terpyridine with extended π-conjugation with donor groups, a 4,4′-dicarboxylic acid-2,2′-bipyridine anchoring ligand and a thiocyanate ligand have been designed, synthesized and fully characterized by CHN, mass spectrometry, UV-vis and fluorescence spectroscopies and cyclic voltammetry. The new sensitizers have either 3,5-di-tert-butyl phenyl (m-BL-5) or triphenylamine (m-BL-6) groups, where the molar extinction coefficient of both the sensitizers is higher than the analogous ruthenium dyes. Both the sensitizers were tested in dye-sensitized solar cells using two different redox electrolytes.

Engineering of efficient panchromatic sensitizers for nanocrystalline TiO2-based solar cells

Nazeeruddin,Pechy,Renouard,Zakeeruddin,Humphry-Baker,Cointe,Liska,Cevey,Costa,Shklover,Spiccia,Deacon,Bignozzi,Graetzel

, p. 1613 - 1624 (2007/10/03)

A new series of panchromatic ruthenium(II) sensitizers derived from carboxylated terpyridyl complexes of tris-thiocyanato Ru(II) have been developed. Black dye containing different degrees of protonation {(C2H5)3NH}[Ru(H3tcterpy)(NCS) 3] 1, {(C4H9)4N}2[Ru(H2 tcterpy)(NCS)3] 2, {(C4H9)4N}3[Ru(Htcterpy)(NCS) 3] 3, and {(C4H9)4N}4[Ru(tcterpy)(NCS) 3] 4 (tcterpy = 4,4′,4″-tricarboxy-2,2′:6′,2″-terpyridine) have been synthesized and fully characterized by UV-vis, emission. IR, Raman, NMR, cyclic voltammetry, and X-ray diffraction studies. The crystal structure of complex 2 confirms the presence of a RuIIN6 central core derived from the terpyridine ligand and three N-bonded thiocyanates. Intermolecular H-bonding between carboxylates on neighboring terpyridines gives rise to 2-D H-bonded arrays. The absorption and emission maxima of the black dye show a bathochromic shift with decreasing pH and exhibit pH-dependent excited-state lifetimes. The red-shift of the emission maxima is due to better π-acceptor properties of the acid form that lowers the energy of the CT excited state. The low-energy metal-to-ligand charge-transfer absorption band showed marked solvatochromism due to the presence of thiocyanate ligands. The Ru(II)/(III) oxidation potential of the black dye and the ligand-based reduction potential shifted cathodically with decreasing number of protons and showed more reversible character. The adsorption of complex 3 from methoxyacetonitrile solution onto transparent TiO2 films was interpreted by a Langmuir isotherm yielding an adsorption equilibrium constant, Kads, of (1.0 ± 0.3) × 105 M-1. The amount of dye adsorbed at monolayer saturation was (na = 6.9 ± 0.3) × 10-8 mol/mg of TiO2, which is around 30% less than that of the cis-di(thiocyanato)bis(2,2′-bipyridyl-4,4′-dicarboxylate) ruthenium(II) complex. The black dye, when anchored to nanocrystalline TiO2 films achieves very efficient sensitization over the whole visible range extending into the near-IR region up to 920 nm, yielding over 80% incident photon-to-current efficiencies (IPCE). Solar cells containing the black dye were subjected to analysis by a photovoltaic calibration laboratory (NREL, U.S.A.) to determine their solar-to-electric conversion efficiency under standard AM 1.5 sunlight. A short circuit photocurrent density obtained was 20.5 mA/cm2, and the open circuit voltage was 0.72 V corresponding to an overall conversion efficiency of 10.4%.

Efficient panchromatic sensitization of nanocrystalline TiO2 films by a black dye based on a trithiocyanato-ruthenium complex

Nazeeruddin,Pechy,Graetzel

, p. 1705 - 1706 (2007/10/03)

A black trithiocyanato-ruthenium(II) terpyridyl complex where the terpyridyl ligand is substituted by three carboxyl groups in 4,4′,4″-positions achieves very efficient panchromatic sensitization of nanocrystalline TiO2 solar cells over the whole visible range extending into the near-IR region up to 920 nm.

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