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tert-Butyl 3-(Trifluoromethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate - 95%, high purity

COA

Grade & Purity:

≥95%

Cas Number: 693826-97-0
Molecular Weight: 237.22
PubChem CID: 11322337
PubChem SID: 504766295

In stock

Item Number

T400870

Grouped product items
SKU	Size	Availability	Price
T400870-100mg	100mg	3	$44.90
T400870-250mg	250mg	2	$76.90
T400870-1g	1g	2	$205.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
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 Pyrrolines
    - Subclass Pyrroline carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolines
Subclass	Pyrroline carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrroline carboxylic acids
Alternative Parents	Carbamate esters Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrroline carboxylic acid - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrroline carboxylic acids. These are heterocyclic compounds containing a pyrroline ring substituted by one or more carboxylic acid groups.
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	504766295
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766295
IUPAC Name	tert-butyl 3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxylate
INCHI	InChI=1S/C10H14F3NO2/c1-9(2,3)16-8(15)14-5-4-7(6-14)10(11,12)13/h4H,5-6H2,1-3H3
InChIKey	VYTGKLCSSXKVTE-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC=C(C1)C(F)(F)F
Isomeric SMILES	CC(C)(C)OC(=O)N1CC=C(C1)C(F)(F)F
PubChem CID	11322337
Molecular Weight	237.22

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
L2404176	Certificate of Analysis	Feb 18, 2022	T400870
F22041011	Certificate of Analysis	Feb 18, 2022	T400870
F22041012	Certificate of Analysis	Feb 18, 2022	T400870
F2204780	Certificate of Analysis	Feb 18, 2022	T400870

Chemical and Physical Properties

Molecular Weight	237.220 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	237.098 Da
Monoisotopic Mass	237.098 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	315.000
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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