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

CAS: 107-80-2 Cat. No.: D155315 Formula: C₄H₈Br₂ Peso molecolare: 215.92 Numero EC: 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

Argon charged,Room temperature

Shipped In

Normale

Panoramica

È stata studiata la sua struttura molecolare e la sua composizione conformazionale mediante diffrazione elettronica in fase gassosa e metodi ab initio.

Specifications

Sinonimi

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

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488180596
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180596
• Sorrisi canonici: 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
• Isomeri SMILES: CC(CCBr)Br
• WGK Germania: 3
• Peso molecolare: 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
    • Classe Organobromides

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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.51
• Punto di infiammabilità (°C): 49 °C
• Punto di ebollizione (°C): 173-176℃
• Peso molecolare: 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

Domande frequenti

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.