1,2-Diethylbenzene - technical grade, ≥92% , CAS No.135-01-3

CAS: 135-01-3 Cat. No.: D130062 Formule: C₁₀H₁₄ Poids moléculaire: 134.22 Beilstein Registry Number: 1904392 Numéro CE: 205-170-1

GRADE & PURITY Technical grade, ≥92%

Synonyms

1,2-Diethylbenzene, technical grade, 92% | Tox21_303467 | LS-13808 | BIDD:ER0356 | EC 246-874-9 | InChI=1/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H | DSSTox_RID_78595 | 1,2-DIETHYLBENZENE [HSDB] | Diethylbenzene [UN2049] [Flammable liquid] | NCGC00

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonymes

1,2-Diethylbenzene, technical grade, 92% | Tox21_303467 | LS-13808 | BIDD:ER0356 | EC 246-874-9 | InChI=1/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H | DSSTox_RID_78595 | 1,2-DIETHYLBENZENE [HSDB] | Diethylbenzene [UN2049] [Flammable liquid] | NCGC00

Spécifications et pureté

technical grade, ≥92%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Qualité technique

Pureté

≥92%

Noms et identifiants

• Pubchem Sid: 488180852
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180852
• Sourires canoniques: CCC1=CC=CC=C1CC
• IUPAC Name: 1,2-diethylbenzene
• InChIKey: KVNYFPKFSJIPBJ-UHFFFAOYSA-N
• INCHI: 1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3
• Isomères SMILES: CCC1=CC=CC=C1CC
• WGK Allemagne: 2
• RTECS: CZ5640000
• Numéro ONU: 2049
• Groupe d'emballage: III
• Poids moléculaire: 134.22
• Beilstein: 1904392
• Reaxy-Rn: 1904392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904392&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Miscible with alcohol, benzene and carbon tetrachloride. Immiscible with water.
• Sensibilité: heat sensitive
• Indice de réfraction: 1.505
• Point d'éclair (°F): 267.8℉
• Point d'éclair (°C): 131℃
• Point d'ébullition (°C): 183°C
• Point de fusion (°C): -31°C
• Poids moléculaire: 134.220 g/mol
• XLogP3: 3.700
• 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: 74.000
• 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

Références

1. Ziqi Sun, Meiling Qi.  (2023)  End-modification of poly(ether-carbonate) copolymer by adamantane cages: An effective approach for improving the selectivity of gas chromatographic stationary phases.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36990034] [10.1016/j.chroma.2023.463940]

2. Ziqi Sun, Meiling Qi.  (2022)  High separation performance of carbon dioxide-based poly(ether-carbonate) copolymer for gas chromatographic analyses.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36166885] [10.1016/j.chroma.2022.463493]

3. Xue Xiong, Meiling Qi.  (2020)  A novel column fabrication approach for capillary gas chromatography via a cross-linked organogel network with high stability and inertness.  NEW JOURNAL OF CHEMISTRY,  44  (25): (10621-10627).  [PMID:] [10.1039/D0NJ02185G]