1,4-Dichlorobutane - ≥98% , CAS No.110-56-5

CAS: 110-56-5 Cat. No.: D103409 Peso molecular: 127.01 Beilstein Registry Number: 635673 Número EC: 203-778-1

GRADE & PURITY ≥98%

Synonyms

8326YNM2B3 | D0349 | 1,4-Dichlorobutane, 99% | LS-12996 | FT-0606863 | A802213 | NSC 6288 | FT-0651580 | Tetramethylene dichloride | AKOS000120565 | NSC6288 | NSC-6288 | DTXSID5021918 | MFCD00001011 | 1,4-bis(chloranyl)butane | Tetramethylene chloride | 1

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Descripción general

1,4-Dichlorobutane is extensively used in the synthesis of a variety of ligands, including commonly used 1,1′-(1,4-butanediyl)bis(imidazole) (bbi), to prepare coordination polymers and metal-organic frameworks (MOFs). It can also be used a reagent in the synthesis of natural products such as spiro[4.5]-δ-damascone.

Specifications

Sinónimos

8326YNM2B3 | D0349 | 1, 4-Dichlorobutane, 99% | LS-12996 | FT-0606863 | A802213 | NSC 6288 | FT-0651580 | Tetramethylene dichloride | AKOS000120565 | NSC6288 | NSC-6288 | DTXSID5021918 | MFCD00001011 | 1, 4-bis(chloranyl)butane | Tetramethylene chloride | 1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180673
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180673
• Sonrisas canónicas: C(CCCl)CCl
• IUPAC Name: 1,4-dichlorobutane
• InChIKey: KJDRSWPQXHESDQ-UHFFFAOYSA-N
• INCHI: 1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2
• Isómeros SMILES: C(CCCl)CCl
• WGK Alemania: 1
• Número ONU: 1993
• Grupo de embalaje: I
• Peso molecular: 127.01
• Beilstein: 635673
• Reaxy-Rn: 635673
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635673&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in most organic solvents.
• Sensibilidad: Light sensitive.
• Índice de refracción: 1.4542
• Punto de inflamación (°F): 104.0 °F - closed cup
• Punto de inflamación (°C): 40 °C - closed cup
• Punto de ebullición (°C): 155°C
• Punto de fusión (°C): -38°C
• Peso molecular: 127.010 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 126 Da
• Monoisotopic Mass: 126 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 17.500
• Isotope Atom Count: 0
• 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

Referencias

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4. Chuyuan Jia, Chengce Yuan, Zhenyu Ma, Yunzhe Du, Li Liu, Yudong Huang.  (2019)  Improving the Mechanical and Surface Properties of Aramid Fiber by Grafting with 1,4-Dichlorobutane under Supercritical Carbon Dioxide.  Materials,  12  (22): (3766).  [PMID:31744043] [10.3390/ma12223766]

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