Butylphthalide - Moligand™,10mM in DMSO , CAS No.6066-49-5

CAS: 6066-49-5 Cat. No.: B425024 Formule: C12H14O2 Poids moléculaire: 190.24 Numéro CE: 228-000-8
DISPONIBLE À COMMANDE
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
EINECS 228-000-8 | DL-NBP | 3-Butyl-1(3H)-isobenzofuranone | AKOS005362658 | N-butylphthalide | 3-n-Butylphthalide | BCP30933 | 3-Butyl-2-benzofuran-1(3H)-one | DTXSID50863687 | 3-N-BUTYLPHATHLIDE | AC-35096 | AS-56990 | HY-B0647 | 3-butylisobenzofuran-1(
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Allemagne (EU)
USA*
Price
Qty
1ml
B425024-1ml
—
1 En stock
69,33€
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Why this grade

Moligand™,10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonymes
EINECS 228-000-8 | DL-NBP | 3-Butyl-1(3H)-isobenzofuranone | AKOS005362658 | N-butylphthalide | 3-n-Butylphthalide | BCP30933 | 3-Butyl-2-benzofuran-1(3H)-one | DTXSID50863687 | 3-N-BUTYLPHATHLIDE | AC-35096 | AS-56990 | HY-B0647 | 3-butylisobenzofuran-1(
Spécifications et pureté
Moligand™,10mM in DMSO
Conditions de stockage de stockage
Store at -80°C
Expédié en
Dry ice packs + Cold packs
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Grade
Moligand™
Noms et identifiants
Pubchem Sid528768936
Sourires canoniquesCCCCC1C2=CC=CC=C2C(=O)O1
IUPAC Name3-butyl-3H-2-benzofuran-1-one
InChIKeyHJXMNVQARNZTEE-UHFFFAOYSA-N
INCHI1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
Isomères SMILES CCCCC1C2=CC=CC=C2C(=O)O1
Poids moléculaire 190.24
Reaxy-Rn 136652
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136652&ln=

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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseBenzofurans
SubclassBenzofuranones
Intermediate Tree Nodes Not available
Direct ParentBenzofuranones
Alternative Parents Phthalides  Benzenoids  Lactones  Carboxylic acid esters  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Isobenzofuranone - Phthalide - Benzofuranone - Isocoumaran - Benzenoid - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





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Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Point d'éclair (°C)128 °C
Point d'ébullition (°C)178 °C/15 mmHg
Poids moléculaire190.240 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass190.099 Da
Monoisotopic Mass190.099 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count14
Formal Charge0
Complexity212.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
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