1-(P-TOLYL)-1-CYCLOHEXANECARBONITRILE , CAS No.1206-13-9

CAS: 1206-13-9 Cat. No.: P166500 Peso molecular: 199.298 PubChem CID: 71007
Disponible para pedir
Synonyms
SCHEMBL181275 | Cyclohexanecarbonitrile, 1-(4-methylphenyl)- | FT-0605866 | NSC155170 | NSC-155170 | AM10610 | LS-02210 | DTXSID20152919 | J-505110 | 1-(4-methylphenyl)cyclohexane-1-carbonitrile | 1-(p-Tolyl)cyclohexanecarbonitrile | 1-(P-tolyl)cyclohexan
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
P166500-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

84,90US$

100,90US$
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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.

Specifications

Sinónimos
SCHEMBL181275 | Cyclohexanecarbonitrile, 1-(4-methylphenyl)- | FT-0605866 | NSC155170 | NSC-155170 | AM10610 | LS-02210 | DTXSID20152919 | J-505110 | 1-(4-methylphenyl)cyclohexane-1-carbonitrile | 1-(p-Tolyl)cyclohexanecarbonitrile | 1-(P-tolyl)cyclohexan
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Nombres e identificadores
Sonrisas canónicasCC1=CC=C(C=C1)C2(CCCCC2)C#N
IUPAC Name1-(4-methylphenyl)cyclohexane-1-carbonitrile
InChIKeyJFUXEEYLCATFIB-UHFFFAOYSA-N
INCHI1S/C14H17N/c1-12-5-7-13(8-6-12)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
Isómeros SMILES CC1=CC=C(C=C1)C2(CCCCC2)C#N
PubChem CID 71007
Peso molecular 199.298

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





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular199.290 g/mol
XLogP33.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass199.136 Da
Monoisotopic Mass199.136 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count15
Formal Charge0
Complexity246.000
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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