1,2-Diethylbenzene - ≥96% , CAS No.135-01-3

CAS: 135-01-3 Cat. No.: D108906 Formula: C₁₀H₁₄ Peso molecolare: 134.22 Beilstein Registry Number: 1904392 Numero EC: 205-170-1

GRADE & PURITY ≥96%

Synonyms

1,2-DIETHYLBENZENE|135-01-3|o-Diethylbenzene|Benzene, diethyl-|Benzene, 1,2-diethyl-|Benzene, o-diethyl-|1,2-diethyl-benzene|25HOX6T1LU|Diethylbenzol|DSSTox_CID_7866|DSSTox_RID_78595|DSSTox_GSID_27866|CAS-25340-17-4|HSDB 4081|EINECS 205-170-1|UNII-25HOX6T

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinonimi

1,2-DIETHYLBENZENE | 135-01-3 | o-Diethylbenzene | Benzene, diethyl- | Benzene, 1,2-diethyl- | Benzene, o-diethyl- | 1,2-diethyl-benzene | 25HOX6T1LU | Diethylbenzol | DSSTox_CID_7866 | DSSTox_RID_78595 | DSSTox_GSID_27866 | CAS-25340-17-4 | HSDB 4081 | EINECS 205-170-1 | UNII-25HOX6T

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

508806960

Sorrisi canonici

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

Isomeri SMILES

CCC1=CC=CC=C1CC

WGK Germania

2

RTECS

CZ5640000

Numero UN

2049

Gruppo di imballaggio

III

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: heat sensitive
• Indice di rifrazione: 1.505
• Punto di infiammabilità (°F): 267.8℉
• Punto di infiammabilità (°C): 131℃
• Punto di ebollizione (°C): 183°C
• Punto di fusione (°C): -31°C
• Peso molecolare: 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