1,4-diclorobenzene-d4 - standard analitico , CAS No.3855-82-1

CAS: 3855-82-1 Cat. No.: D115108 Formula: C₆D₄Cl₂ Peso molecolare: 151.03 Beilstein Registry Number: 2047072 Numero EC: 684-572-2

GRADE & PURITY 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

Conservare a 2-8°C, con carica di argon

Shipped In

Ghiaccio umido

Specifications

Sinonimi

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

Specifiche e purezza

standard analitico

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, con carica di argon

Spedito in

Ghiaccio umido

Grado

Standard analitico

Nomi e identificatori

• Pubchem Sid: 528753816
• Sorrisi canonici: 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
• Isomeri SMILES: [2H]C1=C(C(=C(C(=C1Cl)[2H])[2H])Cl)[2H]
• WGK Germania: 3
• Numero UN: 3077
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Punto di infiammabilità (°F): 150.8 °F
• Punto di infiammabilità (°C): 66°C
• Punto di ebollizione (°C): 173°C
• Punto di fusione (°C): 52-54°C
• Peso molecolare: 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

Riferimenti

1. Kunfeng Zhang, Sheng Chang, Enrui Wang, Qi Zhang, Yueting Fan, Yunsong Bai, Moli Zhang, Qing Fu, Wenchao Jia.  (2022)  Occurrence, health risk, and removal efficiency assessment of volatile organic compounds in drinking water treatment plants (DWTPs): An investigation of seven major river basins across China.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2022.133762]