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4,4′,4″-Tri-tert-Butyl-2,2′:6′,2″-terpyridine - 95%, high purity , CAS No.115091-29-7

COA

Grade & Purity:

≥95%

Cas Number: 115091-29-7
Molecular Weight: 401.59
MDL number: MFCD02093731
PubChem CID: 4229824
PubChem SID: 488194777

In stock

Item Number

T119896

Grouped product items
SKU	Size	Availability	Price
T119896-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$48.90
T119896-250mg	250mg	2	$100.90
T119896-1g	1g	10	$270.90
T119896-5g	5g	2	$1,163.90

Basic Description

Synonyms	115091-29-7 \| 4,4',4''-Tri-tert-butyl-2,2':6',2''-terpyridine \| 4-tert-butyl-2,6-bis(4-tert-butylpyridin-2-yl)pyridine \| 2,2':6',2''-Terpyridine, 4,4',4''-tris(1,1-dimethylethyl)- \| MFCD02093731 \| 4,4,4-Tri-tert-butyl-2,2:6,2-terpyridine \| 4,4',4'-tri-tert-butyl-2,2'
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Bipyridines and oligopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Bipyridines and oligopyridines
Intermediate Tree Nodes	Not available
Direct Parent	Bipyridines and oligopyridines
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bipyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488194777
IUPAC Name	4-tert-butyl-2,6-bis(4-tert-butylpyridin-2-yl)pyridine
INCHI	InChI=1S/C27H35N3/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6/h10-17H,1-9H3
InChIKey	QMABMHJGSFUTPF-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC(=NC=C1)C2=CC(=CC(=N2)C3=NC=CC(=C3)C(C)(C)C)C(C)(C)C
Isomeric SMILES	CC(C)(C)C1=CC(=NC=C1)C2=CC(=CC(=N2)C3=NC=CC(=C3)C(C)(C)C)C(C)(C)C
WGK Germany	3
PubChem CID	4229824
Molecular Weight	401.59

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
F22041049	Certificate of Analysis	Mar 22, 2022	T119896
F22041050	Certificate of Analysis	Mar 22, 2022	T119896
E2305759	Certificate of Analysis	Mar 22, 2022	T119896
F22041048	Certificate of Analysis	Mar 22, 2022	T119896

Chemical and Physical Properties

Melt Point(°C)	215-217°C
Molecular Weight	401.600 g/mol
XLogP3	7.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	401.283 Da
Monoisotopic Mass	401.283 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	508.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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