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

CAS: 135-01-3 Cat. No.: D108906 Formule: C₁₀H₁₄ Poids moléculaire: 134.22 Beilstein Registry Number: 1904392 Numéro CE: 205-170-1

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥96%

Noms et identifiants

Pubchem Sid

508806960

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

• 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