1,2-Dichlorobenzene-d4 - ≥99 atom% D , CAS No.2199-69-1

CAS: 2199-69-1 Cat. No.: D102257 Summenformel: C₆D₄Cl₂ Molekulargewicht: 151.03 Beilstein Registry Number: 1950096 EG-Nummer: 218-606-0

GRADE & PURITY ≥99 atom% D

Synonyms

1,2-dichloro-3,4,5,6-tetradeuteriobenzene | o-Dichloro(2H4)benzene

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyme

1,2-dichloro-3,4,5,6-tetradeuteriobenzene | o-Dichloro(2H4)benzene

Spezifikationen & Reinheit

≥99 atom% D

Storage

Room temperature,Argon charged,Desiccated

Verschickt in

Normal

Reinheit

≥99 atom% D

Namen und Kennungen

• Pubchem Sid: 508807518
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508807518
• Kanonisches Lächeln: C1=CC=C(C(=C1)Cl)Cl
• IUPAC Name: 1,2-dichloro-3,4,5,6-tetradeuteriobenzene
• InChIKey: RFFLAFLAYFXFSW-RHQRLBAQSA-N
• INCHI: 1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H/i1D,2D,3D,4D
• Isomere SMILES: [2H]C1=C(C(=C(C(=C1[2H])Cl)Cl)[2H])[2H]
• WGK Deutschland: 3
• Alternative CAS-Nummer: 95-50-1（unlabelled）
• UN-Nummer: 1591
• Verpackungsgruppe: III
• Molekulargewicht: 151.03
• Beilstein: 1950096
• Reaxy-Rn: 606078
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606078&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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: 1,2-dichlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water
• Empfindlichkeit: Moisture sensitive.Light sensitive.Hygroscopic.
• Brechungsindex: 1.5509
• Flammpunkt (°F): 150.8 °F
• Flammpunkt (°C): 65°C
• Siedepunkt (°C): 178-180°C
• Schmelzpunkt (°C): -17°C
• Molekulargewicht: 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: 62.900
• 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

Referenzen

1. Xu Zhang, Guangping Sun, Heng Liu, Xuequan Zhang.  (2021)  Fabrication of porous polymer coating layers with selective wettability on filter papers via the breath figure method and their applications in oil/water separation.  RSC Advances,  11  (24): (14276-14284).  [PMID:35423976] [10.1039/D1RA01080H]

2. Xu Zhang, Guangping Sun, Xuequan Zhang.  (2020)  A novel thermoplastic shape memory polymer with solid-state plasticity derived from exchangeable hydrogen bonds.  RSC Advances,  10  (16): (9387-9395).  [PMID:35497231] [10.1039/D0RA00988A]