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

CAS: 135-01-3 Cat. No.: D130062 Fórmula: C₁₀H₁₄ Peso molecular: 134.22 Beilstein Registry Number: 1904392 Número CE: 205-170-1

GRAU & PUREZA 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

Especificações

Sinónimos

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

Especificações e pureza

technical grade, ≥92%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Technical grade

Pureza

≥92%

Nomes e identificadores

Pubchem Sid

488180852

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180852

Sorrisos canónicos

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

SMILES isoméricas

CCC1=CC=CC=C1CC

WGK Alemanha

2

RTECS

CZ5640000

Número UN

2049

Grupo de embalagem

III

Peso molecular

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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Miscible with alcohol, benzene and carbon tetrachloride. Immiscible with water.
• Sensibilidade: heat sensitive
• Índice de refração: 1.505
• Ponto de inflamação (°F): 267.8℉
• Ponto de inflamação (°C): 131℃
• Ponto de ebulição (°C): 183°C
• Ponto de fusão (°C): -31°C
• Peso molecular: 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