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5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazole - 96%, high purity , CAS No.1027617-86-2

COA

Grade & Purity:

≥96%

Cas Number: 1027617-86-2
Molecular Weight: 176.14
PubChem CID: 7147438

In stock

Item Number

C586188

Grouped product items
SKU	Size	Availability	Price
C586188-100mg	100mg	3	$55.90
C586188-250mg	250mg	3	$114.90
C586188-1g	1g	3	$411.90

Basic Description

Synonyms	1H-Pyrazole, 3-cyclopropyl-5-(trifluoromethyl)- \| 1027617-86-2 \| NCGC00330637-01 \| F30515 \| STK256645 \| F2169-0697 \| 3-cyclopropyl-5-(trifluoromethyl)-1H-Pyrazole \| 3-Cyclopropyl-5-trifluoromethyl-1H-pyrazole \| FT-0769928 \| 5-Cyclopropyl-3-trifluoromethyl
Specifications & Purity	≥96%
Storage Temp	Store at 2-8°C,Protected from light,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazoles
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
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

IUPAC Name	5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
INCHI	InChI=1S/C7H7F3N2/c8-7(9,10)6-3-5(11-12-6)4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKey	SUCMXFIPSVVVQE-UHFFFAOYSA-N
Smiles	C1CC1C2=CC(=NN2)C(F)(F)F
Isomeric SMILES	C1CC1C2=CC(=NN2)C(F)(F)F
Molecular Weight	176.14
Reaxy-Rn	11139908
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11139908&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
H2302079	Certificate of Analysis	Jul 10, 2023	C586188
H2302081	Certificate of Analysis	Jul 10, 2023	C586188
H2302080	Certificate of Analysis	Jul 10, 2023	C586188

Chemical and Physical Properties

Molecular Weight	176.140 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	176.056 Da
Monoisotopic Mass	176.056 Da
Topological Polar Surface Area	28.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176.000
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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