o-Xylène - ≥98% , CAS No.95-47-6

CAS: 95-47-6 Cat. No.: X108972 Formule: C₈H₁₀ Poids moléculaire: 106.17 Beilstein Registry Number: 1815558 Numéro CE: 202-422-2

QUALITÉ & PURETÉ ≥98%

Synonyms

X0012 | Xylènes ACS | 3,4-Xylène | BDBM50008560 | UNII-Z2474E14QP | o-Xylène, standard analytique | 2-Méthyltoluène | NCGC00091662-01 | o-Xylène 100 microg/mL dans du méthanol | o-Xylène, qualité réactif, >=98.0% | Benzène, o-diméthyl- | o-Xylène, qualité

Storage

Room temperature

Shipped In

FedEx DG Service

Vue d’ensemble

l'o-Xylène peut être utilisé dans la synthèse de l'anhydride phtalique et du phtalodinitrile.

Spécifications

Synonymes

X0012 | Xylènes ACS | 3,4-Xylène | BDBM50008560 | UNII-Z2474E14QP | o-Xylène, standard analytique | 2-Méthyltoluène | NCGC00091662-01 | o-Xylène 100 microg/mL dans du méthanol | o-Xylène, qualité réactif, >=98.0% | Benzène, o-diméthyl- | o-Xylène, qualité

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508816657

Sourires canoniques

CC1=CC=CC=C1C

IUPAC Name

1,2-xylene

InChIKey

CTQNGGLPUBDAKN-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

CC1=CC=CC=C1C

WGK Allemagne

1

Numéro ONU

1307

Groupe d'emballage

III

Poids moléculaire

106.17

Beilstein

1815558

Reaxy-Rn

1815558

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1815558&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: o-Xylenes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-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

Cibles associées (humaines)

ACHE Tclin Acetylcholinesterase (1 Activities)

Discover Target: ACHE

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

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

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Miscible with ethanol, diethylether. Immiscible with water.
• Indice de réfraction: 1.5
• Point d'éclair (°F): 89.6 °F
• Point d'éclair (°C): 31°C
• Point d'ébullition (°C): 144°C
• Point de fusion (°C): -25°C
• Poids moléculaire: 106.160 g/mol
• XLogP3: 3.100
• 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: 56.400
• 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