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1-[(2-Propynyloxy)methyl]pyrene - 96%, high purity , CAS No.1115084-83-7

COA

Grade & Purity:

≥96%

Cas Number: 1115084-83-7
Molecular Weight: 270.33
PubChem CID: 91972178
PubChem SID: 504772715

In stock

Item Number

P160679

Grouped product items
SKU	Size	Availability	Price
P160679-50mg	50mg	2	$65.90
P160679-250mg	250mg	2	$253.90
P160679-1g	1g	1	$780.90

View related series

Oxygenated compounds (806) Pyrenes (21)

Basic Description

Synonyms	1-(prop-2-ynoxymethyl)pyrene \| MFCD28384153 \| 1115084-83-7 \| CS-0451178 \| SCHEMBL20699461 \| F08-0016 \| LCZC1314 \| 1-[(Propargyloxy)methyl]pyrene \| T71596 \| 1-((prop-2-yn-1-yloxy)methyl)pyrene \| P2226 \| 1-[(PROP-2-YN-1-YLOXY)METHYL]PYRENE \| 1-[(2-Propynylo
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Pyrenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Pyrenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrenes
Alternative Parents	Phenanthrenes and derivatives Naphthalenes Dialkyl ethers Acetylides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Pyrene - Phenanthrene - Naphthalene - Acetylide - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
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	504772715
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772715
IUPAC Name	1-(prop-2-ynoxymethyl)pyrene
INCHI	InChI=1S/C20H14O/c1-2-12-21-13-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h1,3-11H,12-13H2
InChIKey	PHLBHJYVJNAPAY-UHFFFAOYSA-N
Smiles	C#CCOCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
Isomeric SMILES	C#CCOCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
PubChem CID	91972178
Molecular Weight	270.33
Reaxy-Rn	18921060

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.

6 results found

Lot Number	Certificate Type	Date	Item
H2309906	Certificate of Analysis	Jul 17, 2023	P160679
H2309904	Certificate of Analysis	Jul 17, 2023	P160679
H2309933	Certificate of Analysis	Jul 17, 2023	P160679
H2309920	Certificate of Analysis	Jul 17, 2023	P160679
H2309923	Certificate of Analysis	Jul 17, 2023	P160679
H2309937	Certificate of Analysis	Jul 17, 2023	P160679

Chemical and Physical Properties

Melt Point(°C)	85 °C
Molecular Weight	270.300 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	270.104 Da
Monoisotopic Mass	270.104 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	419.000
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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