m-Xylene - ≥99%(GC) , CAS No.108-38-3

CAS: 108-38-3 Cat. No.: X103348 分子式: C₈H₁₀ 分子量: 106.16 Beilstein Registry Number: 605441 EC番号: 203-576-3

GRADE & PURITY ≥99%(GC)

Synonyms

M-XYLENE | NCGC00257846-01 | 3-XYLENE [HSDB] | STL268867 | metaxylene | meta-Xylene | bmse000554 | EINECS 203-576-3 | NCGC00257052-01 | 1,3-Xylene | DTXCID501446 | HSDB 135 | NSC 61769 | Q3234708 | DSSTox_GSID_21446 | m-Dimethylbenzene | InChI=1/C8H10/c1-

Storage

Room temperature

Shipped In

FedEx DG Service

概要

m-Xylene is an isomeric form of xylene. Experimental values of density (ρ) and speed of sound (u) of its binary mixtures with diethyl carbonate (DEC) have been evaluated over the temperature range of 298.15-323.15K and at 0.1MPa atmospheric pressure.

Specifications

同義語

M-XYLENE | NCGC00257846-01 | 3-XYLENE [HSDB] | STL268867 | metaxylene | meta-Xylene | bmse000554 | EINECS 203-576-3 | NCGC00257052-01 | 1,3-Xylene | DTXCID501446 | HSDB 135 | NSC 61769 | Q3234708 | DSSTox_GSID_21446 | m-Dimethylbenzene | InChI=1/C8H10/c1-

仕様と純度

≥99%(GC)

保管条件

Room temperature

入荷

FedEx DG Service

純度

≥99%(GC)

名前と識別子

パブケム・シド

508817016

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508817016

カノニカル・スマイル

CC1=CC(=CC=C1)C

IUPAC Name

1,3-xylene

InChIKey

IVSZLXZYQVIEFR-UHFFFAOYSA-N

INCHI

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

異性体SMILES

CC1=CC(=CC=C1)C

WGKドイツ

1

UN番号

UN 1307

包装グループ

III

分子量

106.16

Beilstein

605441

Reaxy-Rn

605441

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605441&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: m-Xylenes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-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

関連ターゲット（人間）

ACHE Tclin Acetylcholinesterase (1 Activities)

Discover Target: ACHE

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

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

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

関連ターゲット（非人間）

E Lysozyme (95 Activities)

Discover Target: E

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Miscible with many organic solvents, including alcohol and ether; Immiscible with water.
• 引火点（°C）: 27°C
• 沸点（°C）: 139.3°C
• 融点（°C）: -48°C
• 分子量: 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: 58.400
• 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

よくある質問

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 108-38-3, the molecular formula is C8H10, and the molecular weight is 106.16 g/mol. InChIKey IVSZLXZYQVIEFR-UHFFFAOYSA-N.

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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.