(3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid - ≥97% , CAS No.1909288-71-6

CAS: 1909288-71-6 Cat. No.: P630999 Molecular Weight: 183.13 EC Number: 970-796-0 PubChem CID: 90424808
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
(3s,4s)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid | 1909288-71-6 | SCHEMBL16057547 | AMY34431 | MFCD29907135 | AKOS037644633 | AT10189 | AS-54131 | EN300-266048 | P17541 | (3s,4s)-4-(trifluoromethyl)pyrrolidine-3-carboxylicacid | rac-(3R,4R)-4-(tri
Storage
Room temperature
Shipped In
Normal
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100mg
P630999-100mg
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250mg
P630999-250mg
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500mg
P630999-500mg
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1g
P630999-1g
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5g
P630999-5g
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$1,383.90

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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
(3s, 4s)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid | 1909288-71-6 | SCHEMBL16057547 | AMY34431 | MFCD29907135 | AKOS037644633 | AT10189 | AS-54131 | EN300-266048 | P17541 | (3s, 4s)-4-(trifluoromethyl)pyrrolidine-3-carboxylicacid | rac-(3R, 4R)-4-(tri
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesC1C(C(CN1)C(F)(F)F)C(=O)O
IUPAC Name(3S,4S)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
InChIKeyPDWZJYCKCFENCX-QWWZWVQMSA-N
INCHI1S/C6H8F3NO2/c7-6(8,9)4-2-10-1-3(4)5(11)12/h3-4,10H,1-2H2,(H,11,12)/t3-,4-/m1/s1
Isomeric SMILES C1[C@H]([C@@H](CN1)C(F)(F)F)C(=O)O
PubChem CID 90424808
Molecular Weight 183.13

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyrrolidines
SubclassPyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyrrolidine carboxylic acids
Alternative Parents Amino acids  Monocarboxylic acids and derivatives  Dialkylamines  Carboxylic acids  Azacyclic compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Pyrrolidine carboxylic acid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight183.130 g/mol
XLogP3-1.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass183.051 Da
Monoisotopic Mass183.051 Da
Topological Polar Surface Area49.300 Ų
Heavy Atom Count12
Formal Charge0
Complexity192.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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