Benzene-1,3,5-d₃ - ≥98 atom% D,≥98% , CAS No.1684-47-5

CAS: 1684-47-5 Cat. No.: B464636 Formula: C₆H₃D₃ Peso molecolare: 81.13 Numero EC: 685-215-3

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

AKOS015910325 | (1,3,5-~2~H_3_)Benzene | 1,3,5-trideuteriobenzene | F90520 | (?H?)benzene | DTXSID90583599 | Benzene-1,3,5-d3 | Benzene-d3-3 | Benzene-1,3,5-d3, 98 atom % D | J-010459

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

AKOS015910325 | (1,3,5-~2~H_3_)Benzene | 1,3,5-trideuteriobenzene | F90520 | (?H?)benzene | DTXSID90583599 | Benzene-1,3,5-d3 | Benzene-d3-3 | Benzene-1,3,5-d3, 98 atom % D | J-010459

Specifiche e purezza

≥98 atom% D,≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98 atom% D,≥98%

Nomi e identificatori

Pubchem Sid

504768162

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768162

Sorrisi canonici

C1=CC=CC=C1

IUPAC Name

1,3,5-trideuteriobenzene

InChIKey

UHOVQNZJYSORNB-NHPOFCFZSA-N

INCHI

1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,4D,5D

Isomeri SMILES

[2H]C1=CC(=CC(=C1)[2H])[2H]

Numero UN

1114

Peso molecolare

81.13

Reaxy-Rn

969212

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969212&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

• Solubilità: Chloroform (Sparingly), Ethyl Acetate (Sparingly)
• Sensibilità: Light sensitive;Moisture sensitive
• Indice di rifrazione: n20/D 1.499 (lit.)
• Punto di infiammabilità (°F): 12.2 °F - closed cup
• Punto di infiammabilità (°C): -11 °C - closed cup
• Punto di ebollizione (°C): 80℃ (lit.)
• Punto di fusione (°C): 5.5℃ (lit.)
• Peso molecolare: 81.130 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 81.0658 Da
• Monoisotopic Mass: 81.0658 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 15.500
• Isotope Atom Count: 3
• 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