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1‐{[(2R,3S)‐2‐(2,4‐difluorophenyl)‐3‐methyloxiran‐2‐yl]methyl}‐1H‐1,2,4‐triazole - 98%, high purity , CAS No.127000-90-2

COA

Grade & Purity:

≥98%

Cas Number: 127000-90-2
Molecular Weight: 251.232
PubChem CID: 10131191
PubChem SID: 488196548

In stock

Item Number

R173170

Grouped product items
SKU	Size	Availability	Price
R173170-100mg	100mg	3	$11.90
R173170-250mg	250mg	3	$23.90
R173170-1g	1g	3	$57.90
R173170-5g	5g	5	$195.90
R173170-25g	25g	2	$877.90

Discover 1‐{[(2R,3S)‐2‐(2,4‐difluorophenyl)‐3‐methyloxiran‐2‐yl]methyl}‐1H‐1,2,4‐triazole by Aladdin Scientific in 98% for only $11.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	127000-90-2 \| 1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole \| 132563-77-0 \| 124627-86-7 \| (2R,3S)-2-(2,4-difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazole-1-yl)methyl]oxirane \| 1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]m
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Aryl fluorides Triazoles Heteroaromatic compounds Oxacyclic compounds Epoxides Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Fluorobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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	488196548
IUPAC Name	1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
INCHI	InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12+/m0/s1
InChIKey	QANJLSHZDUOBBP-QPUJVOFHSA-N
Smiles	CC1C(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F
Isomeric SMILES	C[C@H]1[C@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F
PubChem CID	10131191
Molecular Weight	251.232

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

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

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10 results found

Lot Number	Certificate Type	Date	Item
F2328618	Certificate of Analysis	Jun 06, 2023	R173170
F2328619	Certificate of Analysis	Jun 06, 2023	R173170
F2328611	Certificate of Analysis	Jun 06, 2023	R173170
F2328616	Certificate of Analysis	Jun 06, 2023	R173170
F2328615	Certificate of Analysis	Jun 06, 2023	R173170
F2328612	Certificate of Analysis	Jun 06, 2023	R173170
F2328614	Certificate of Analysis	Jun 06, 2023	R173170
F2328617	Certificate of Analysis	Jun 06, 2023	R173170
F2328610	Certificate of Analysis	Jun 06, 2023	R173170
F2328613	Certificate of Analysis	Jun 06, 2023	R173170

Chemical and Physical Properties

Molecular Weight	251.230 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	251.087 Da
Monoisotopic Mass	251.087 Da
Topological Polar Surface Area	43.200 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	320.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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