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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items rac Ibuprofen-d3 - ≥99 atom% D,≥98% , CAS No.121662-14-4
Synonyms
Ibuprofen D3 | Ibuprofen-d3 | rac-Ibuprofen-d3 | (+/-)-Ibuprofen D3 | (+/-)-Ibuprofen-D3 | 3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acid | Benzeneacetic acid, alpha-(methyl-d3)-4-(2-methylpropyl)- (9CI) | (±)-Ibuprofen-d3
Shipped In
Ice chest + Ice pads
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Why this grade ≥99 atom% D,≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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.
Descripción general rac Ibuprofen-d3, a selective cyclooxygenase inhibitor. Inhibits Cox-1 (PGH synthase-1) and Cox-2 (PGH synthase-2) with comparable potency.
Specifications Sinónimos
Ibuprofen D3 | Ibuprofen-d3 | rac-Ibuprofen-d3 | (+/-)-Ibuprofen D3 | (+/-)-Ibuprofen-D3 | 3, 3, 3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acid | Benzeneacetic acid, alpha-(methyl-d3)-4-(2-methylpropyl)- (9CI) | (±)-Ibuprofen-d3
Especificaciones y pureza
≥99 atom% D, ≥98%
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Pubchem Sid 504766997 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504766997 Sonrisas canónicas OC(C(C1=CC=C(CC(C)C)C=C1)C([2H])([2H])[2H])=O IUPAC Name 3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acid InChIKey HEFNNWSXXWATRW-HPRDVNIFSA-N INCHI 1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3D3 Isómeros SMILES [2H]C([2H])([2H])C(C1=CC=C(C=C1)CC(C)C)C(=O)O CAS alternativo 15687-27-1（unlabelled） PubChem CID 12225947 Peso molecular 209.3
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.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Clase Phenylpropanoic acids Subclass Not available Intermediate Tree Nodes Not available Direct Parent Phenylpropanoic acids Alternative Parents Monocyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents 2-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Phenylpropane - Monocyclic benzene moiety - Benzenoid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. External Descriptors Not available Data sources 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Soluble in dichloromethane, ether, ethyl acetate, and methanol. Índice de refracción n20D1.52 (Predicted) Punto de ebullición (°C) ~319.6° C at 760 mmHg (Predicted) Punto de fusión (°C) 75-77.5° C Peso molecular 209.300 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 Exact Mass 209.15 Da Monoisotopic Mass 209.15 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 203.000 Isotope Atom Count 3 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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