1,4-Dibromo butane - ≥98% , CAS No.110-52-1

CAS: 110-52-1 Cat. No.: D105749 Formula: C₄H₈Br₂ Peso molecolare: 215.91 Beilstein Registry Number: 1071199 Numero EC: 203-775-5

GRADE & PURITY ≥98%

Synonyms

DBB | EN300-19289 | SCHEMBL8484 | UNII-G49PHR6JFU | 1.4-dibromobutane | AKOS000118763 | BrCH2CH2CH2CH2Br | D0176 | MFCD00000261 | 1,4-dibromo butane | NSC 71435 | alpha,omega-Dibromobutane | CCRIS 8917 | 1,4-Dibrombutan | NCIOpen2_003230

Storage

Room temperature,Argon charged

Shipped In

Normal

Panoramica

Solubility in water: immiscible Solubility in other solvents: soluble in all usual organic solvents and alcohols soluble in chloroform
1,4-Dibromo butane was used to investigate the metabolism of two halopropanes: 1,3-dichloropropane and 2,2-dichloropropane. It was used as reagent during the synthesis of diazadioxa oxovanadium(IV) macrocyclic complexes.

Specifications

Sinonimi

DBB | EN300-19289 | SCHEMBL8484 | UNII-G49PHR6JFU | 1.4-dibromobutane | AKOS000118763 | BrCH2CH2CH2CH2Br | D0176 | MFCD00000261 | 1,4-dibromo butane | NSC 71435 | alpha,omega-Dibromobutane | CCRIS 8917 | 1,4-Dibrombutan | NCIOpen2_003230

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488180671

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180671

Sorrisi canonici

C(CCBr)CBr

IUPAC Name

1,4-dibromobutane

InChIKey

ULTHEAFYOOPTTB-UHFFFAOYSA-N

INCHI

1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2

Isomeri SMILES

C(CCBr)CBr

WGK Germania

2

RTECS

EJ7565000

Numero UN

2810

Peso molecolare

215.91

Beilstein

1071199

Reaxy-Rn

1071199

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071199&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

• Solubilità: Immiscible with water.
• Sensibilità: light sensitive, air sensitive
• Indice di rifrazione: 1.519
• Punto di infiammabilità (°C): 131 °C
• Punto di ebollizione (°C): 197-198°C
• Punto di fusione (°C): -16.53°C
• Peso molecolare: 215.910 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• 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: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 110-52-1, the molecular formula is C4H8Br2, and the molecular weight is 215.91 g/mol. InChIKey ULTHEAFYOOPTTB-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.