n-Propylbenzene - ≥98% , CAS No.103-65-1

CAS: 103-65-1 Cat. No.: P104624 Formula: C₉H₁₂ Peso molecolare: 120.19 Beilstein Registry Number: 1903006 Numero EC: 203-132-9

GRADE & PURITY ≥98%

Synonyms

AKOS000120950 | n-Propyl benzene | NSC16941 | NSC-16941 | propyl benzene | Propylbenzene, n- | NSC 16941 | UN2364 | 1-Phenylpropane | InChI=1/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H | n-Propyl benzene [UN2364] [Flammable liquid] | 0WR86ZHG2Z | EINE

Storage

Room temperature

Shipped In

FedEx DG Service

Panoramica

Application

Propylbenzene is a component of jet-A kerosene fuel and used in combustion studies.

In organic synthesis, it can be used as a solvent and also as a precursor to synthesize intermediates such as 4-phenylbutyraldehyde and ethyl phenyl ketone.

Specifications

Sinonimi

AKOS000120950 | n-Propyl benzene | NSC16941 | NSC-16941 | propyl benzene | Propylbenzene, n- | NSC 16941 | UN2364 | 1-Phenylpropane | InChI=1/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H | n-Propyl benzene [UN2364] [Flammable liquid] | 0WR86ZHG2Z | EINE

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508811707

Sorrisi canonici

CCCC1=CC=CC=C1

IUPAC Name

propylbenzene

InChIKey

ODLMAHJVESYWTB-UHFFFAOYSA-N

INCHI

1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3

Isomeri SMILES

CCCC1=CC=CC=C1

WGK Germania

1

RTECS

DA8750000

Numero UN

2364

Gruppo di imballaggio

III

Peso molecolare

120.19

Beilstein

1903006

Reaxy-Rn

1903006

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903006&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: alkylbenzene

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Not soluble in water, but miscible with most organic solvents such as ethanol and ether.
• Indice di rifrazione: 1.49-1.493
• Punto di infiammabilità (°F): 107.6 °F
• Punto di infiammabilità (°C): 47℃
• Punto di ebollizione (°C): 158°C
• Punto di fusione (°C): -99°C
• Peso molecolare: 120.190 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 120.094 Da
• Monoisotopic Mass: 120.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 60.400
• 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