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4-(trifluoromethyl)-1h-pyrrole-2-carboxylic acid - 97%, high purity , CAS No.149427-58-7

COA

Grade & Purity:

≥97%

Cas Number: 149427-58-7
Molecular Weight: 179.1
MDL number: MFCD13190112
PubChem CID: 67231925

In stock

Item Number

H629427

Grouped product items
SKU	Size	Availability	Price
H629427-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90
H629427-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
H629427-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$646.90
H629427-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,165.90

Basic Description

Synonyms	4-(TRIFLUOROMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID \| 149427-58-7 \| 4-(TRIFLUOROMETHYL)-1H-PY... \| 4-trifluoromethyl-1H-pyrrole-2-carboxylic acid \| 1H-Pyrrole-2-carboxylic acid, 4-(trifluoromethyl)- \| SCHEMBL1970012 \| ZFA42758 \| MFCD13190112 \| PB24125 \| AS-3
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Pyrrole carboxylic acids and derivatives
      - Level5 Pyrrole carboxylic acids
        Level6 Pyrrole 2-carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Pyrrole carboxylic acids and derivatives
Intermediate Tree Nodes	Pyrrole carboxylic acids
Direct Parent	Pyrrole 2-carboxylic acids
Alternative Parents	Substituted pyrroles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrrole-2-carboxylic acid - Substituted pyrrole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrole 2-carboxylic acids. These are pyrrole carboxylic acids where the carboxyl group is attached at position C2.
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	4-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid
INCHI	InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(5(11)12)10-2-3/h1-2,10H,(H,11,12)
InChIKey	FZLYSJNODQYBNZ-UHFFFAOYSA-N
Smiles	C1=C(NC=C1C(F)(F)F)C(=O)O
Isomeric SMILES	C1=C(NC=C1C(F)(F)F)C(=O)O
PubChem CID	67231925
Molecular Weight	179.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	179.100 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	179.019 Da
Monoisotopic Mass	179.019 Da
Topological Polar Surface Area	53.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	192.000
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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