2-Bromododecane - technical grade, ≥85% , CAS No.13187-99-0

CAS: 13187-99-0 Cat. No.: B476994 分子式: CH₃(CH₂)₉CH(Br)CH₃ 分子量: 249.23 EC番号: 236-142-7

グレード＆純度 Technical grade, ≥85%

Synonyms

GIUUCQVKMWBSRT-UHFFFAOYSA-N | 2-Bromo dodecane | EINECS 236-142-7 | NSC 97571 | AKOS009156715 | DTXSID40927848 | NSC97571 | NSC-97571 | Dodecane, 2-bromo- | SCHEMBL1001129 | 2-Bromododecane, technical grade, 85% | 2-Bromododecane | 2-bromo-dodecane | J-00

Storage

Room temperature

概要

Description

2-Bromododecane was used as growth substrate to investigate the fatty acid composition of cellular lipids ofRhodococcus rhodochrousNCIMB 13064 grown on various long-chain haloalkanes. It was used to compare theinvitromethods:yeast resazurin and 3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyltetrazolium bromide assay for determining the acute toxicity of halogenated alkanes.

仕様

同義語

GIUUCQVKMWBSRT-UHFFFAOYSA-N | 2-Bromo dodecane | EINECS 236-142-7 | NSC 97571 | AKOS009156715 | DTXSID40927848 | NSC97571 | NSC-97571 | Dodecane, 2-bromo- | SCHEMBL1001129 | 2-Bromododecane, technical grade, 85% | 2-Bromododecane | 2-bromo-dodecane | J-00

仕様と純度

technical grade, ≥85%

保管条件

Room temperature

等級

工業用グレード

純度

≥85%

名前と識別子

カノニカル・スマイル

CCCCCCCCCCC(C)Br

IUPAC Name

2-bromododecane

InChIKey

GIUUCQVKMWBSRT-UHFFFAOYSA-N

INCHI

1S/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3

異性体SMILES

CCCCCCCCCCC(C)Br

WGKドイツ

3

分子量

249.23

Reaxy-Rn

1738918

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738918&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 分類 Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 分子量: 249.230 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 248.114 Da
• Monoisotopic Mass: 248.114 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 91.100
• 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