solução de p-Xileno - padrão analítico, 1,00mg/ml em metanol , CAS No.106-42-3

CAS: 106-42-3 Cat. No.: X103342 Fórmula: C₈H₁₀ Peso molecular: 106.17 Número CE: 203-396-5

GRAU & PUREZA Analytical standard, 1.00mg/ml in methanol

Synonyms

P-XILENO|1,4-Dimetilbenzeno|Para-Xileno|106-42-3|1,4-Xileno|p-Metiltolueno|p-Dimetilbenzeno|p-Xileno|Benzeno, 1,4-dimetil-|4-Xileno|4-Metiltolueno|Cromar|Scintilar|1,4-Dimetilbenzeno|paraxileno|CCRIS 910|NSC 72419|HSDB 136|EINECS 203-396-5|UNII-6WAC

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Especificações

Sinónimos

P-XILENO | 1,4-Dimetilbenzeno | Para-Xileno | 106-42-3 | 1,4-Xileno | p-Metiltolueno | p-Dimetilbenzeno | p-Xileno | Benzeno, 1,4-dimetil- | 4-Xileno | 4-Metiltolueno | Cromar | Scintilar | 1,4-Dimetilbenzeno | paraxileno | CCRIS 910 | NSC 72419 | HSDB 136 | EINECS 203-396-5 | UNII-6WAC

Especificações e pureza

padrão analítico, 1,00mg/ml em metanol

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Grau

Analytical standard

Nomes e identificadores

Pubchem Sid

528771418

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771418

Sorrisos canónicos

CC1=CC=C(C=C1)C

IUPAC Name

1,4-xylene

InChIKey

URLKBWYHVLBVBO-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

CC1=CC=C(C=C1)C

WGK Alemanha

1

Número UN

1307

Grupo de embalagem

III

Peso molecular

106.17

Reaxy-Rn

1901563

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1901563&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Xylenes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
• 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)

ACHE Tclin Acetylcholinesterase (1 Activities)

Discover Target: ACHE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

Alvos associados (não humanos)

Oryctolagus cuniculus (11301 Activities)

Explore this target

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

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, ether, chloroform, etc.
• Índice de refração: 1.5
• Ponto de inflamação (°C): 25°C
• Ponto de ebulição (°C): 137-138°C
• Ponto de fusão (°C): 13-14°C
• Peso molecular: 106.160 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• 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: 48.400
• 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