n-Propylbenzene - ≥99% , CAS No.103-65-1

CAS: 103-65-1 Cat. No.: P104625 Formula: C₉H₁₂ Peso molecolare: 120.19 Beilstein Registry Number: 1903006 Numero EC: 203-132-9

GRADE & PURITY ≥99%

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

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

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504751425

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751425

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

Domande frequenti

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 should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 103-65-1, the molecular formula is C9H12, and the molecular weight is 120.19 g/mol. InChIKey ODLMAHJVESYWTB-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.