1-ブロモヘプタン - ≥98% , CAS No.629-04-9

CAS: 629-04-9 Cat. No.: B109258 分子式: C₇H₁₅Br 分子量: 179.1 Beilstein Registry Number: 1697160 EC番号: 211-068-8

グレード＆純度 ≥98%

Synonyms

A834079 | B0598 | J-504464 | 1219805-66-9 | STL282743 | bromoheptane | bromo-heptane | bromomethylhexane | Heptyl bromide | NSC 7315 | n-heptylbromide | EINECS 211-068-8 | 1-Bromo heptane | 1-Bromoheptane, 99% | MFCD00000273 | 1219802-55-7 | 1 -bromohepta

Storage

Room temperature

Shipped In

ノーマル

仕様

同義語

A834079 | B0598 | J-504464 | 1219805-66-9 | STL282743 | bromoheptane | bromo-heptane | bromomethylhexane | Heptyl bromide | NSC 7315 | n-heptylbromide | EINECS 211-068-8 | 1-Bromo heptane | 1-Bromoheptane, 99% | MFCD00000273 | 1219802-55-7 | 1 -bromohepta

仕様と純度

≥98%

保管条件

Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

パブケム・シド

504752315

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504752315

カノニカル・スマイル

CCCCCCCBr

IUPAC Name

1-bromoheptane

InChIKey

LSXKDWGTSHCFPP-UHFFFAOYSA-N

INCHI

1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3

異性体SMILES

CCCCCCCBr

WGKドイツ

3

RTECS

MI8100000

UN番号

1993

分子量

179.1

Beilstein

1697160

Reaxy-Rn

1697160

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697160&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

• 溶解度: Insoluble in water; Soluble in Ether,Alcohol
• 屈折率: 1.4499
• 引火点（°F）: 140 °F
• 引火点（°C）: 60℃
• 沸点（°C）: 180 °C
• 融点（°C）: -58°C
• 分子量: 179.100 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 178.036 Da
• Monoisotopic Mass: 178.036 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 35.400
• 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