Isoindoline - ≥97% , CAS No.496-12-8

CAS: 496-12-8 Cat. No.: I123491 Peso molecular: 119.16 Beilstein Registry Number: 111921 Número EC: 628-708-0
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
A7388 | SCHEMBL2764305 | 1,2-dihydroisoindole | MFCD00605324 | SCHEMBL10612 | InChI=1/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2,(H,4,6 | 1,3-dihydro-2H-isoindole | LCZC2613 | TS-01612 | 4G7B55YCK6 | Isoindoline | iso-indoline | Isoindoline, 97% | AC-20744 | AKOS00028
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
50mg
I123491-50mg
2

10,90US$

16,90US$
Guardar 6,00 US$ (35.50%)
250mg
I123491-250mg
2

38,90US$

58,90US$
Guardar 20,00 US$ (33.96%)
1g
I123491-1g
1

95,90US$

143,90US$
Guardar 48,00 US$ (33.36%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% 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.

Descripción general

Used to make a chiral diamine catalyst from L-proline for the asymmetric acylation of alcohols.

Specifications

Sinónimos
A7388 | SCHEMBL2764305 | 1, 2-dihydroisoindole | MFCD00605324 | SCHEMBL10612 | InChI=1/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2, (H, 4, 6 | 1, 3-dihydro-2H-isoindole | LCZC2613 | TS-01612 | 4G7B55YCK6 | Isoindoline | iso-indoline | Isoindoline, 97% | AC-20744 | AKOS00028
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at -20°C, Argon charged
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥97%
Nombres e identificadores
Pubchem Sid504758666
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504758666
Sonrisas canónicasC1C2=CC=CC=C2CN1
IUPAC Name2,3-dihydro-1H-isoindole
InChIKeyGWVMLCQWXVFZCN-UHFFFAOYSA-N
INCHI1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h1-4,9H,5-6H2
Isómeros SMILES C1C2=CC=CC=C2CN1
WGK Alemania 3
Peso molecular 119.16
Beilstein 111921
Reaxy-Rn 111921
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111921&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
ClaseIsoindoles and derivatives
SubclassIsoindoles
Intermediate Tree Nodes Not available
Direct ParentIsoindoles
Alternative Parents Isoindolines  Aralkylamines  Benzenoids  Dialkylamines  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Isoindole - Isoindoline - Aralkylamine - Benzenoid - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

7 results found

Lot NumberCertificate TypeFechaArticulo
B2527656Certificate of AnalysisFeb 19, 2025 I123491
B2527665Certificate of AnalysisFeb 19, 2025 I123491
B2527666Certificate of AnalysisFeb 19, 2025 I123491
B2527667Certificate of AnalysisFeb 19, 2025 I123491
J2213785Certificate of AnalysisSep 20, 2022 I123491
J2213786Certificate of AnalysisSep 20, 2022 I123491
J2213792Certificate of AnalysisSep 20, 2022 I123491
Propiedades químicas y físicas
Sensibilidadheat & air sensitive
Índice de refracción1.57
Punto de inflamación (°F)201.2 °F
Punto de inflamación (°C)94 °C
Punto de ebullición (°C)113°C/25mmHg
Punto de fusión (°C)17°C
Peso molecular119.160 g/mol
XLogP30.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass119.073 Da
Monoisotopic Mass119.073 Da
Topological Polar Surface Area12.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity88.700
Isotope Atom Count0
Defined Atom Stereocenter Count0
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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