1,4-Dichlorobenzene-d4 - analytical standard , CAS No.3855-82-1

CAS: 3855-82-1 Cat. No.: D115108 Formule: C₆D₄Cl₂ Poids moléculaire: 151.03 Beilstein Registry Number: 2047072 Numéro CE: 684-572-2

QUALITÉ & PURETÉ Analytical standard

Synonyms

HY-Y0496S | 1,4-Dichloro(~2~H_4_)benzene | 1,4-Dichlorobenzene-d4, analytical standard | Benzene-1,2,4,5-d4, 3,6-dichloro- | 1,4-dichloro-2,3,5,6-tetradeuteriobenzene | 1,4-Dichlorobenzene-d4 | MFCD00000605 | Benzene, 1,4-dichloro-, [2H4] | Tetradeutero-1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spécifications

Synonymes

HY-Y0496S | 1,4-Dichloro(~2~H_4_)benzene | 1,4-Dichlorobenzene-d4, analytical standard | Benzene-1,2,4,5-d4, 3,6-dichloro- | 1,4-dichloro-2,3,5,6-tetradeuteriobenzene | 1,4-Dichlorobenzene-d4 | MFCD00000605 | Benzene, 1,4-dichloro-, [2H4] | Tetradeutero-1

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Étalon d'analyse

Noms et identifiants

Pubchem Sid

528753816

Sourires canoniques

C1=CC(=CC=C1Cl)Cl

IUPAC Name

1,4-dichloro-2,3,5,6-tetradeuteriobenzene

InChIKey

OCJBOOLMMGQPQU-RHQRLBAQSA-N

INCHI

1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D

Isomères SMILES

[2H]C1=C(C(=C(C(=C1Cl)[2H])[2H])Cl)[2H]

WGK Allemagne

3

Numéro ONU

3077

Poids moléculaire

151.03

Beilstein

2047072

Reaxy-Rn

1680023

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1680023&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,4-dichlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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: Moisture sensitive
• Point d'éclair (°F): 150.8 °F
• Point d'éclair (°C): 66°C
• Point d'ébullition (°C): 173°C
• Point de fusion (°C): 52-54°C
• Poids moléculaire: 151.020 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 149.994 Da
• Monoisotopic Mass: 149.994 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 54.900
• Isotope Atom Count: 4
• 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