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

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

Name: 1-(P-TOLYL)-1-CYCLOHEXANECARBONITRILE , CAS No.1206-13-9
SKU: P166500
Availability: InStock

CAS: 1206-13-9 Cat. No.: P166500 Fórmula: C₁₄H₁₇N Peso molecular: 199.298 PubChem CID: 71007

COA

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1-(P-TOLYL)-1-CYCLOHEXANECARBONITRILE - CAS No(1206-13-9) by Aladdin Scientific

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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

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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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

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

Sonrisas canónicas

CC1=CC=C(C=C1)C2(CCCCC2)C#N

IUPAC Name

1-(4-methylphenyl)cyclohexane-1-carbonitrile

InChIKey

JFUXEEYLCATFIB-UHFFFAOYSA-N

INCHI

1S/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.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Clase Benzene and substituted derivatives
    - Subclass Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Toluenes
Alternative Parents	Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
Descripción	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	199.290 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	199.136 Da
Monoisotopic Mass	199.136 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	246.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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