o-Xylene - anhydrous, ≥97% , CAS No.95-47-6

CAS: 95-47-6 Cat. No.: X119713 Formula: C₈H₁₀ Peso molecolare: 106.17 Beilstein Registry Number: 1815558 Numero EC: 202-422-2

GRADE & PURITY Anhydrous Grade, ≥97%

Synonyms

X0012 | Xylenes ACS | 3,4-Xylene | BDBM50008560 | UNII-Z2474E14QP | o-Xylene, analytical standard | 2-Methyltoluene | NCGC00091662-01 | o-Xylene 100 microg/mL in Methanol | o-Xylene, reagent grade, >=98.0% | Benzene, o-dimethyl- | o-Xylene, HPLC Grade | Q

Storage

Room temperature

Shipped In

FedEx DG Service

Panoramica

o-Xylene may be used in the synthesis of phthalic anhydride and phthalodinitrile.

Specifications

Sinonimi

X0012 | Xylenes ACS | 3,4-Xylene | BDBM50008560 | UNII-Z2474E14QP | o-Xylene, analytical standard | 2-Methyltoluene | NCGC00091662-01 | o-Xylene 100 microg/mL in Methanol | o-Xylene, reagent grade, >=98.0% | Benzene, o-dimethyl- | o-Xylene, HPLC Grade | Q

Specifiche e purezza

anhydrous, ≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Grado

Anhydrous Grade

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504751275

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751275

Sorrisi canonici

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

Isomeri SMILES

CC1=CC=CC=C1C

WGK Germania

1

Numero UN

1307

Gruppo di imballaggio

III

Peso molecolare

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
• Descrizione: 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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.5
• Punto di infiammabilità (°F): 89.6 °F
• Punto di infiammabilità (°C): 31°C
• Punto di ebollizione (°C): 144°C
• Punto di fusione (°C): -25°C
• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does Anhydrous Grade mean?

Anhydrous Grade indicates that the material has been processed and tested for moisture-sensitive chemistry. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

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 95-47-6, the molecular formula is C8H10, and the molecular weight is 106.17 g/mol. InChIKey CTQNGGLPUBDAKN-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.