Ethylbenzene solution - analytical standard, 1000ug/ml in carbon disulfide , CAS No.100-41-4

CAS: 100-41-4 Cat. No.: E117364 Fórmula: C₈H₁₀ Peso molecular: 106.17 Beilstein Registry Number: 1901871 Número CE: 202-849-4

GRADE & PURITY Analytical standard, 1000ug/ml in carbon disulfide

Synonyms

AI3-09057 | C07111 | E0064 | EB | ETHYL-BETA,BETA,BETA-D3-BENZENE | FT-0626285 | WLN: 2R | DTXCID10596 | ETHYLBENZENE [IARC] | STL282714 | ETHYLBENZENE (IARC) | ETHYLBENZENE (USP-RS) | Z104473632 | ETHYLBENZENE [USP-RS] | alpha-Methyltoluene | ETHYLBENZEN

Storage

Room temperature

Shipped In

FedEx DG Service

Visão geral

It has an aromatic odor, and its vapor density is slightly greater than that of air.Soluble in ethanol, benzene, carbon tetrachloride, and ether; almost insoluble in water.inflammable 。Low toxicity; median lethal dose (rat, oral administration) is 3500 mg/kg.

Specifications

Sinónimos

AI3-09057 | C07111 | E0064 | EB | ETHYL-BETA,BETA,BETA-D3-BENZENE | FT-0626285 | WLN: 2R | DTXCID10596 | ETHYLBENZENE [IARC] | STL282714 | ETHYLBENZENE (IARC) | ETHYLBENZENE (USP-RS) | Z104473632 | ETHYLBENZENE [USP-RS] | alpha-Methyltoluene | ETHYLBENZEN

Especificações e pureza

analytical standard, 1000ug/ml in carbon disulfide

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Analytical standard

Nomes e identificadores

Sorrisos canónicos

CCC1=CC=CC=C1

IUPAC Name

ethylbenzene

InChIKey

YNQLUTRBYVCPMQ-UHFFFAOYSA-N

INCHI

1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3

SMILES isoméricas

CCC1=CC=CC=C1

WGK Alemanha

1

RTECS

DA0700000

Número UN

1175

Grupo de embalagem

II

Peso molecular

106.17

Beilstein

1901871

Reaxy-Rn

1901871

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1901871&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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: an aromatic compound

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

Alvos associados (humanos)

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

E Lysozyme (95 Activities)

Discover Target: E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Not soluble in water, but miscible with most organic solvents such as ethanol and ether.
• Índice de refração: 1.495
• Ponto de inflamação (°C): 22 °C
• Ponto de ebulição (°C): 136°C
• Ponto de fusão (°C): -95°C
• Peso molecular: 106.160 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 106.078 Da
• Monoisotopic Mass: 106.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 51.100
• 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