(2S,4S)-6-Fluoro-2,3-dihydro-2',5'-dioxospiro(4H-1-benzopyran-4,4'-imidazolidine)-2-carboxylic acid - ≥95% , CAS No.136087-84-8

CAS: 136087-84-8 Cat. No.: S941321 Peso molecular: 280.210
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
S941321-1g
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1.152,90US$
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasC1[C@H](OC2=C([C@]13C(=O)NC(=O)N3)C=C(C=C2)F)C(=O)O
IUPAC Name(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid
InChIKeyXEEMHUAVPICJLP-UFBFGSQYSA-N
INCHI1S/C12H9FN2O5/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(16)17)10(18)14-11(19)15-12/h1-3,8H,4H2,(H,16,17)(H2,14,15,18,19)/t8-,12-/m0/s1
Peso molecular 280.210

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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseAzolidines
SubclassImidazolidines
Intermediate Tree Nodes Imidazolidinones - Imidazolidinediones
Direct ParentHydantoins
Alternative Parents 1-benzopyrans  Alpha amino acids and derivatives  5-monosubstituted hydantoins  Alkyl aryl ethers  N-acyl ureas  Aryl fluorides  Benzenoids  Dicarboximides  Oxacyclic compounds  Carboxylic acids  Monocarboxylic acids and derivatives  Azacyclic compounds  Carbonyl compounds  Organic oxides  Organofluorides  Organonitrogen compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Hydantoin - Alpha-amino acid or derivatives - Chromane - Benzopyran - 1-benzopyran - 5-monosubstituted hydantoin - Alkyl aryl ether - Ureide - N-acyl urea - Aryl fluoride - Aryl halide - Benzenoid - Dicarboximide - Urea - Carbonic acid derivative - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular280.210 g/mol
XLogP30.300
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass280.05 Da
Monoisotopic Mass280.05 Da
Topological Polar Surface Area105.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity484.000
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
Calculadoras de soluciones
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