Butylphthalide - Moligand™,≥98% , CAS No.6066-49-5

CAS: 6066-49-5 Cat. No.: B304122 Summenformel: C12H14O2 Molekulargewicht: 190.24 EG-Nummer: 228-000-8
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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. ≥98%
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 -20°C,Argon charged
Shipped In
Ice chest + Ice pads
★
Size
Deutschland (EU)
USA*
Price
Qty
100mg
B304122-100mg
—
Auf Lager ≥10
19,87€
250mg
B304122-250mg
—
7 Auf Lager
43,30€
1g
B304122-1g
—
6 Auf Lager
86,69€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads 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

Synonyme
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(
Spezifikationen & Reinheit
Moligand™,≥98%
Storage
Store at -20°C,Argon charged
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Note
Moligand™
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid504753767
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504753767
Kanonisches LächelnCCCCC1C2=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
Isomere SMILES CCCCC1C2=CC=CC=C2C(=O)O1
Molekulargewicht 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
KlasseBenzofurans
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
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





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Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

13 results found

Lot NumberCertificate TypeDatumArtikel
F2313608Certificate of AnalysisMar 18, 2026 B304122
F2313615Certificate of AnalysisMar 18, 2026 B304122
F2313937Certificate of AnalysisMar 18, 2026 B304122
A2613342Certificate of AnalysisDec 27, 2025 B304122
A2613345Certificate of AnalysisDec 27, 2025 B304122
A2613347Certificate of AnalysisDec 27, 2025 B304122
H2604013Certificate of AnalysisDec 27, 2025 B304122
D2524025Certificate of AnalysisMay 17, 2023 B304122
F2313614Certificate of AnalysisMay 17, 2023 B304122
F2313616Certificate of AnalysisMay 17, 2023 B304122
F2313946Certificate of AnalysisMay 17, 2023 B304122
I2502121Certificate of AnalysisMay 17, 2023 B304122
J2409038Certificate of AnalysisMay 17, 2023 B304122

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Chemische und physikalische Eigenschaften
EmpfindlichkeitMoisture sensitive;Heat sensitive
Flammpunkt (°C)128 °C
Siedepunkt (°C)178 °C/15 mmHg
Molekulargewicht190.240 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
Lösungsrechner
Bewertungen

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