trans-2,3-Dichloro-1,4-dioxane - ≥96% , CAS No.3883-43-0

CAS: 3883-43-0 Cat. No.: T162496 Summenformel: C₄H₆Cl₂O₂ Molekulargewicht: 156.99 Beilstein Registry Number: 19(5)1,32 EG-Nummer: 630-990-5 PubChem CID: 21766875

GRADE & PURITY ≥96%

Synonyms

p-DIOXANE, 2,3-DICHLORO-, trans- | D90027 | UNII-6912S87JCK | 2,3-Dichloro-p-dioxane, trans- | TRANS-2,3-DICHLORODIOXANE | Q27264302 | (2S,3S)-2,3-DICHLORO-1,4-DIOXANE | (2R,3R)-rel-2,3-Dichloro-1,4-dioxane | trans-2,3-Dichloro-1,4-diethylene Dioxide | tr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

p-DIOXANE, 2,3-DICHLORO-, trans- | D90027 | UNII-6912S87JCK | 2,3-Dichloro-p-dioxane, trans- | TRANS-2,3-DICHLORODIOXANE | Q27264302 | (2S,3S)-2,3-DICHLORO-1,4-DIOXANE | (2R,3R)-rel-2,3-Dichloro-1,4-dioxane | trans-2,3-Dichloro-1,4-diethylene Dioxide | tr

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

488199913

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199913

Kanonisches Lächeln

C1COC(C(O1)Cl)Cl

IUPAC Name

(2S,3S)-2,3-dichloro-1,4-dioxane

InChIKey

ZOZUXFQYIYUIND-QWWZWVQMSA-N

INCHI

1S/C4H6Cl2O2/c5-3-4(6)8-2-1-7-3/h3-4H,1-2H2/t3-,4-/m1/s1

Isomere SMILES

C1CO[C@H]([C@@H](O1)Cl)Cl

RTECS

JG9800000

Alternative CAS-Nummer

12260-45-6

PubChem CID

21766875

Molekulargewicht

156.99

Beilstein

19(5)1,32

Reaxy-Rn

80113

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Dioxanes
• Subclass: 1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Para-dioxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
• 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

• Flammpunkt (°C): 94 °C
• Siedepunkt (°C): 82°C/14mmHg(lit.)
• Schmelzpunkt (°C): 27 °C
• Molekulargewicht: 156.990 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 155.974 Da
• Monoisotopic Mass: 155.974 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 68.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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