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

CAS: 110-56-5 Cat. No.: D103409 Molecular Weight: 127.01 Beilstein Registry Number: 635673 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180673
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180673
• Canonical Smiles: C(CCCl)CCl
• IUPAC Name: 1,4-dichlorobutane
• InChIKey: KJDRSWPQXHESDQ-UHFFFAOYSA-N
• INCHI: 1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2
• Isomeric SMILES: C(CCCl)CCl
• WGK Germany: 1
• UN Number: 1993
• Packing Group: I
• Molecular Weight: 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
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in most organic solvents.
• Sensitivity: Light sensitive.
• Refractive Index: 1.4542
• Flash Point(°F): 104.0 °F - closed cup
• Flash Point(°C): 40 °C - closed cup
• Boil Point(°C): 155°C
• Melt Point(°C): -38°C
• Molecular Weight: 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

References

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