1,3-Dibromobutane - ≥98%(GC) , CAS No.107-80-2

CAS: 107-80-2 Cat. No.: D155315 Summenformel: C₄H₈Br₂ Molekulargewicht: 215.92 EG-Nummer: 203-520-8

GRADE & PURITY ≥98%(GC)

Synonyms

DTXSID30870455 | EINECS 203-520-8 | 1,3-dibromo butane | 1,3 dibromobutane | AS-56895 | EN300-96351 | E76659 | 1,3-DIBROMOBUTANE | 1,3-dibromo-butane | FT-0606629 | 1,3-Butylenebromide | SCHEMBL1137164 | A801757 | J-503886 | D0175 | AKOS015915033 | J-8020

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

It has been to investigate its molecular structure and conformational composition by gas-phase electron diffraction and ab initio methods.

Specifications

Synonyme

DTXSID30870455 | EINECS 203-520-8 | 1,3-dibromo butane | 1,3 dibromobutane | AS-56895 | EN300-96351 | E76659 | 1,3-DIBROMOBUTANE | 1,3-dibromo-butane | FT-0606629 | 1,3-Butylenebromide | SCHEMBL1137164 | A801757 | J-503886 | D0175 | AKOS015915033 | J-8020

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488180596
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180596
• Kanonisches Lächeln: CC(CCBr)Br
• IUPAC Name: 1,3-dibromobutane
• InChIKey: XZNGUVQDFJHPLU-UHFFFAOYSA-N
• INCHI: 1S/C4H8Br2/c1-4(6)2-3-5/h4H,2-3H2,1H3
• Isomere SMILES: CC(CCBr)Br
• WGK Deutschland: 3
• Molekulargewicht: 215.92
• Reaxy-Rn: 1731231
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731231&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Organobromides

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.51
• Flammpunkt (°C): 49 °C
• Siedepunkt (°C): 173-176℃
• Molekulargewicht: 215.910 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 215.897 Da
• Monoisotopic Mass: 213.899 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 107-80-2, the molecular formula is C4H8Br2, and the molecular weight is 215.92 g/mol. InChIKey XZNGUVQDFJHPLU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.