Hexylbenzene - analytical standard, ≥99.8%(GC) , CAS No.1077-16-3

CAS: 1077-16-3 Cat. No.: H107003 Fórmula: C₁₂H₁₈ Peso molecular: 162.27 Beilstein Registry Number: 1904786 Número EC: 214-070-7

GRADE & PURITY Analytical standard, ≥99.8%(GC)

Synonyms

DTXSID8061476 | NSC86141 | NSC-86141 | J-002004 | EN300-20866 | BAA07716 | Hexylbenzene, 97% | 8E3D1A2BZP | 1-Phenylhexane | Hexylbenzene | 3GZ | CCG-40547 | CHEBI:88569 | 1-hexylbenzene | 6-PHENYLHEXANE | EINECS 214-070-7 | H0136 | N-HEXYLBENZENE | 4-hex

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID8061476 | NSC86141 | NSC-86141 | J-002004 | EN300-20866 | BAA07716 | Hexylbenzene, 97% | 8E3D1A2BZP | 1-Phenylhexane | Hexylbenzene | 3GZ | CCG-40547 | CHEBI:88569 | 1-hexylbenzene | 6-PHENYLHEXANE | EINECS 214-070-7 | H0136 | N-HEXYLBENZENE | 4-hex

Especificaciones y pureza

analytical standard, ≥99.8%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Pureza

≥99.8%(GC)

Nombres e identificadores

• Pubchem Sid: 528775263
• Sonrisas canónicas: CCCCCCC1=CC=CC=C1
• IUPAC Name: hexylbenzene
• InChIKey: LTEQMZWBSYACLV-UHFFFAOYSA-N
• INCHI: 1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3
• Isómeros SMILES: CCCCCCC1=CC=CC=C1
• WGK Alemania: 3
• Número ONU: 3082
• Peso molecular: 162.27
• Beilstein: 1904786
• Reaxy-Rn: 1904786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904786&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.4855-1.4875
• Punto de inflamación (°F): 83 °C
• Punto de inflamación (°C): 83°C
• Punto de ebullición (°C): 226°C
• Punto de fusión (°C): -61°C
• Peso molecular: 162.270 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 162.141 Da
• Monoisotopic Mass: 162.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 90.200
• 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

Referencias

1. Xiaohui Yang, Guangping Wan, Shujuan Ma, Hongjun Xia, Jun Wang, Jiawei Liu, Yanna Liu, Gang Chen, Quan Bai.  (2019)  Synthesis and optimization of SiO2@SiO2 core-shell microspheres by an improved polymerization-induced colloid aggregation method for fast separation of small solutes and proteins.  TALANTA,      [PMID:31594599] [10.1016/j.talanta.2019.120310]