1-Bromodecane - ≥98%(GC) , CAS No.112-29-8

CAS: 112-29-8 Cat. No.: B105788 Formula: C₁₀H₂₁Br Molecular Weight: 221.18 Beilstein Registry Number: 1735230 EC Number: 203-955-3

GRADE & PURITY ≥98%(GC)

Synonyms

DTXSID9051581 | Decyl monobromide | FT-0607525 | VS-02933 | SCHEMBL33325 | STL146474 | 1-Bromodecane, 98% | 1-Decyl bromide | Decyl bromide | 1-bromo-n-decane | AKOS005720976 | Q-200114 | Tox21_303974 | CAS-112-29-8 | Y2JDF9ZCB6 | Decylbromide | decylmono

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

1-Bromodecane participates in alkylation of pentaerythritol and introduces two lipophilic groups in pentaerythritol. It reacts with 1,2-dimethylimidazole to yield 1-decyl-2,3-dimethylimidazolium bromid

Specifications

Synonyms

DTXSID9051581 | Decyl monobromide | FT-0607525 | VS-02933 | SCHEMBL33325 | STL146474 | 1-Bromodecane, 98% | 1-Decyl bromide | Decyl bromide | 1-bromo-n-decane | AKOS005720976 | Q-200114 | Tox21_303974 | CAS-112-29-8 | Y2JDF9ZCB6 | Decylbromide | decylmono

Specifications & Purity

≥98%(GC)

Storage

Protected from light,Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488180714

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180714

Canonical Smiles

CCCCCCCCCCBr

IUPAC Name

1-bromodecane

InChIKey

MYMSJFSOOQERIO-UHFFFAOYSA-N

INCHI

1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3

Isomeric SMILES

CCCCCCCCCCBr

WGK Germany

3

RTECS

HD6850000

Molecular Weight

221.18

Beilstein

1735230

Reaxy-Rn

1735227

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735227&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organobromides

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

Chemical and Physical Properties

• Solubility: Miscible with most common organic solvents like ethanol, ethyl ether and chloroform. Not miscible in water.
• Sensitivity: Light sensitive.
• x_refractive_index: 1.456
• x_flash_point_drop_fahrenheit: 201.2 °F
• x_flash_point_drop_centigrade: 94 °C
• x_boil_point_char: 238°C
• x_melt_point_char: -30°C
• Molecular Weight: 221.180 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 220.083 Da
• Monoisotopic Mass: 220.083 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 61.900
• 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

Frequently Asked Questions

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

The CAS Number is 112-29-8, the molecular formula is C10H21Br, and the molecular weight is 221.18 g/mol. InChIKey MYMSJFSOOQERIO-UHFFFAOYSA-N.

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, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

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

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.