2,3-Dichlorobutane - ≥95%, mixture of cis- and trans- , CAS No.7581-97-7

CAS: 7581-97-7 Cat. No.: D155309 Formula: C₄H₈Cl₂ Peso molecolare: 127.01 Beilstein Registry Number: 1(4)251 Numero EC: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

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

Specifiche e purezza

≥95%, mixture of cis- and trans-

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504753172

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

CC(C(C)Cl)Cl

Peso molecolare

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
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: air sensitive
• Indice di rifrazione: n20/D 1.442(lit.)
• Punto di infiammabilità (°F): 64.4℉
• Punto di infiammabilità (°C): 18°C(lit.)
• Punto di ebollizione (°C): 117℃
• Peso molecolare: 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