4-Bromoheptane - ≥97% , CAS No.998-93-6

CAS: 998-93-6 Cat. No.: B301016 分子式: C₇H₁₅Br 分子量: 179.1 EC番号: 213-653-3

GRADE & PURITY ≥97%

Synonyms

EINECS 213-653-3 | 4-bromo-heptan | 4-Bromoheptane, AldrichCPR | MFCD00039182 | SY016752 | AKOS005216031 | BS-23227 | DTXSID5061374 | FT-0617891 | SCHEMBL1001541 | 4-Bromoheptane | 4-bromo-heptane | Heptane, 4-bromo- | EN300-1914586

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

EINECS 213-653-3 | 4-bromo-heptan | 4-Bromoheptane, AldrichCPR | MFCD00039182 | SY016752 | AKOS005216031 | BS-23227 | DTXSID5061374 | FT-0617891 | SCHEMBL1001541 | 4-Bromoheptane | 4-bromo-heptane | Heptane, 4-bromo- | EN300-1914586

仕様と純度

≥97%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• カノニカル・スマイル: CCCC(CCC)Br
• IUPAC Name: 4-bromoheptane
• InChIKey: BNUTXEKPXPZAIT-UHFFFAOYSA-N
• INCHI: 1S/C7H15Br/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3
• 異性体SMILES: CCCC(CCC)Br
• 分子量: 179.1
• Reaxy-Rn: 1697144
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697144&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: Miscible with carbon tetrachloride, chloroform and benzene. Immiscible with water.
• 引火点（°C）: 40°C
• 沸点（°C）: 60-62°/18mmHg
• 分子量: 179.100 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• 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: 37.700
• 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