4Pentylbiphenyl - ≥99% , CAS No.7116-96-3

CAS: 7116-96-3 Cat. No.: P115522 Formule: CH₃(CH₂)₄C₆H₄C₆H₅ Poids moléculaire: 224.34 Numéro CE: 230-421-7

GRADE & PURITY ≥99%

Synonyms

(2R)-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoic acid | C17H20 | FT-0619362 | P1133 | ZTS9KSZ5HQ | AKOS015839650 | Ethylmethylsulfide | p-Pentylbiphenyl | 4-Pentylbiphenyl, 99% | 4-n-pentylbiphenyl | D92076 | W-104533 | EINECS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

(2R)-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]-2-(hexadecanoylamino)propanoic acid | C17H20 | FT-0619362 | P1133 | ZTS9KSZ5HQ | AKOS015839650 | Ethylmethylsulfide | p-Pentylbiphenyl | 4-Pentylbiphenyl, 99% | 4-n-pentylbiphenyl | D92076 | W-104533 | EINECS

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488185981

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185981

Sourires canoniques

CCCCCC1=CC=C(C=C1)C2=CC=CC=C2

IUPAC Name

1-pentyl-4-phenylbenzene

InChIKey

IFUOTAQBVGAZPR-UHFFFAOYSA-N

INCHI

1S/C17H20/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16/h4,6-7,9-14H,2-3,5,8H2,1H3

Isomères SMILES

CCCCCC1=CC=C(C=C1)C2=CC=CC=C2

WGK Allemagne

3

Poids moléculaire

224.34

Reaxy-Rn

2082056

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2082056&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: Not available

Data sources

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

Propriétés chimiques et physiques

• Indice de réfraction: 1.57
• Point d'éclair (°F): >110°
• Point d'éclair (°C): >110°
• Point d'ébullition (°C): 166-167°C
• Point de fusion (°C): 9-11°C
• Poids moléculaire: 224.340 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 224.157 Da
• Monoisotopic Mass: 224.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 182.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 7116-96-3, the molecular formula is C17H20, and the molecular weight is 224.34 g/mol. InChIKey IFUOTAQBVGAZPR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.