2-(4-Methylbenzylidene)malononitrile - ≥97% , CAS No.2826-25-7

CAS: 2826-25-7 Cat. No.: M588557 Peso molecular: 168.2 Número EC: 878-802-2
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
MFCD00019789 | F0192-0836 | Z44300073 | M3410 | Toluene, 4-(2,2-dicyanoethenyl) | HMS561J04 | NCIOpen2_001684 | SCHEMBL3369467 | FT-0634508 | 2-[(4-methylphenyl)methylidene]propanedinitrile | Maybridge1_007066 | DTXSID00294826 | 2-(4-Methylbenzylidene)mal
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
M588557-250mg
3

14,90US$

22,90US$
Guardar 8,00 US$ (34.93%)
1g
M588557-1g
3

46,90US$

70,90US$
Guardar 24,00 US$ (33.85%)
5g
M588557-5g
1

217,90US$

326,90US$
Guardar 109,00 US$ (33.34%)
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 2-8°C,Argon charged Ships Wet ice 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

Sinónimos
MFCD00019789 | F0192-0836 | Z44300073 | M3410 | Toluene, 4-(2, 2-dicyanoethenyl) | HMS561J04 | NCIOpen2_001684 | SCHEMBL3369467 | FT-0634508 | 2-[(4-methylphenyl)methylidene]propanedinitrile | Maybridge1_007066 | DTXSID00294826 | 2-(4-Methylbenzylidene)mal
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasCC1=CC=C(C=C1)C=C(C#N)C#N
IUPAC Name2-[(4-methylphenyl)methylidene]propanedinitrile
InChIKeyJIFVPBALUHDGEP-UHFFFAOYSA-N
INCHI1S/C11H8N2/c1-9-2-4-10(5-3-9)6-11(7-12)8-13/h2-6H,1H3
Isómeros SMILES CC1=CC=C(C=C1)C=C(C#N)C#N
Peso molecular 168.2
Reaxy-Rn 1909017
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909017&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
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Not available
Direct ParentToluenes
Alternative Parents Nitriles  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Toluene - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (no humanos)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 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.

3 results found

Lot NumberCertificate TypeFechaArticulo
I2307234Certificate of AnalysisJun 15, 2026 M588557
I2307257Certificate of AnalysisJun 15, 2026 M588557
I2307258Certificate of AnalysisJun 15, 2026 M588557
Propiedades químicas y físicas
Sensibilidadair and heat sensitive
Peso molecular168.190 g/mol
XLogP32.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass168.069 Da
Monoisotopic Mass168.069 Da
Topological Polar Surface Area47.600 Ų
Heavy Atom Count13
Formal Charge0
Complexity271.000
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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