1,3-Diethylbenzene - ≥97%(GC) , CAS No.141-93-5

CAS: 141-93-5 Cat. No.: D155005 Summenformel: C₁₀H₁₄ Molekulargewicht: 134.22 EG-Nummer: 205-511-4

GRADE & PURITY ≥97%(GC)

Synonyms

DTXCID402003 | Benzene,3-diethyl- | WLN: 2R C2 | D0478 | NCGC00356969-01 | 1,3-DIETHYLBENZENE [HSDB] | m-diethyl benzene | NSC 62102 | 1,3-diethylbenzene-d14 | Q24816743 | Benzene, m-diethyl- | ZM2X7I1G8Y | Benzene, 1,3-diethyl- | InChI=1/C10H14/c1-3-9-6-

Storage

Room temperature

Shipped In

FedEx DG Service

Übersicht

1,3-Diethylbenzenes are aromatic hydrocarbons that are classified under the class of volatile organic compounds (VOCs).

Specifications

Synonyme

DTXCID402003 | Benzene,3-diethyl- | WLN: 2R C2 | D0478 | NCGC00356969-01 | 1,3-DIETHYLBENZENE [HSDB] | m-diethyl benzene | NSC 62102 | 1,3-diethylbenzene-d14 | Q24816743 | Benzene, m-diethyl- | ZM2X7I1G8Y | Benzene, 1,3-diethyl- | InChI=1/C10H14/c1-3-9-6-

Spezifikationen & Reinheit

≥97%(GC)

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥97%(GC)

Namen und Kennungen

Pubchem Sid

504751753

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751753

Kanonisches Lächeln

CCC1=CC(=CC=C1)CC

IUPAC Name

1,3-diethylbenzene

InChIKey

AFZZYIJIWUTJFO-UHFFFAOYSA-N

INCHI

1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3

Isomere SMILES

CCC1=CC(=CC=C1)CC

WGK Deutschland

3

RTECS

CZ5620000

UN-Nummer

2049

Verpackungsgruppe

III

Molekulargewicht

134.22

Reaxy-Rn

1903394

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903394&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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: Not available

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with ethanol, benzene, carbon tetrachloride, ethyl ether and acetone. Immiscible with water and diethylbenzene.
• Brechungsindex: 1.496
• Flammpunkt (°F): 131 °F
• Flammpunkt (°C): 55 °C
• Siedepunkt (°C): 182°C
• Schmelzpunkt (°C): -84°C(lit.)
• Molekulargewicht: 134.220 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.11 Da
• Monoisotopic Mass: 134.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 76.000
• 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

Häufig gestellte Fragen

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

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 141-93-5, the molecular formula is C10H14, and the molecular weight is 134.22 g/mol. InChIKey AFZZYIJIWUTJFO-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.