2,3-Dichlorbutan - ≥95%, Mischung aus cis- und trans- , CAS No.7581-97-7

CAS: 7581-97-7 Cat. No.: D155309 Summenformel: C₄H₈Cl₂ Molekulargewicht: 127.01 Beilstein Registry Number: 1(4)251 EG-Nummer: 231-486-4

GRADE & PURITY ≥95%, mixture of cis- and trans-

Synonyms

Butane, 2,3-dichloro-, meso- | D89633 | Tox21_200667 | 2,3-Dichlorobutane # | FT-0609564 | Butane, 2,3-dichloro-, (R*,S*)- | NCGC00258221-01 | InChI=1/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H | meso-2,3-Dichlorobutane | CAS-7581-97-7 | SY049067 | AKOS025295721 | M

Storage

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Specifications

Synonyme

Butane, 2,3-dichloro-, meso- | D89633 | Tox21_200667 | 2,3-Dichlorobutane # | FT-0609564 | Butane, 2,3-dichloro-, (R*,S*)- | NCGC00258221-01 | InChI=1/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H | meso-2,3-Dichlorobutane | CAS-7581-97-7 | SY049067 | AKOS025295721 | M

Spezifikationen & Reinheit

≥95%, Mischung aus cis- und trans-

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504753172

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753172

Kanonisches Lächeln

CC(C(C)Cl)Cl

IUPAC Name

2,3-dichlorobutane

InChIKey

RMISVOPUIFJTEO-UHFFFAOYSA-N

INCHI

1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3

Isomere SMILES

CC(C(C)Cl)Cl

Molekulargewicht

127.01

Beilstein

1(4)251

Reaxy-Rn

1718908

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718908&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Brechungsindex: n20/D 1.442(lit.)
• Flammpunkt (°F): 64.4℉
• Flammpunkt (°C): 18°C(lit.)
• Siedepunkt (°C): 117℃
• Molekulargewicht: 127.010 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 126 Da
• Monoisotopic Mass: 126 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 30.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1