1-ブロモペンタン - ≥99% , CAS No.110-53-2

CAS: 110-53-2 Cat. No.: B305762 分子式: C₅H₁₁Br 分子量: 151.04 Beilstein Registry Number: 1730981 EC番号: 203-776-0

GRADE & PURITY ≥99%

Synonyms

UNII-Z2S4R599P0 | 1-bromo pentane | 1-Bromopentane, purum, >=98.5% (GC) | pentylbromide | amylbromide | Tox21_202717 | bromomethylbutane | NSC7895 | NSC-7895 | Pentane, bromo- | 1-BroMopentane--d4 | brompentane | EC 203-776-0 | AKOS000118764 | Amyl bromid

Storage

遮光、常温

Shipped In

ノーマル

概要

水に溶けず、アルコールに溶け、エーテルと任意の割合で混合できる。致死量の中央値（ヒト、腹腔）は1250mg/kg。有機合成の中間体として使用され、医薬品の合成に有用である; 染料; 香辛料も溶媒として使用できる。

Specifications

同義語

UNII-Z2S4R599P0 | 1-bromo pentane | 1-Bromopentane, purum, >=98.5% (GC) | pentylbromide | amylbromide | Tox21_202717 | bromomethylbutane | NSC7895 | NSC-7895 | Pentane, bromo- | 1-BroMopentane--d4 | brompentane | EC 203-776-0 | AKOS000118764 | Amyl bromid

仕様と純度

≥99%

保管条件

遮光、常温

入荷

ノーマル

純度

≥99%

名前と識別子

• パブケム・シド: 24850799
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504751559
• カノニカル・スマイル: CCCCCBr
• IUPAC Name: 1-bromopentane
• InChIKey: YZWKKMVJZFACSU-UHFFFAOYSA-N
• INCHI: 1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3
• 異性体SMILES: CCCCCBr
• WGKドイツ: 2
• RTECS: RZ9770000
• UN番号: 1993
• 包装グループ: III
• 分子量: 151.04
• Beilstein: 1730981
• Reaxy-Rn: 1730981
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730981&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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water and soluble in alcohol. Miscible in diethyl ether.
• 感度: Light sensitive
• 屈折率: 1.444
• 引火点（°F）: 89.6 °F
• 引火点（°C）: 32 °C
• 沸点（°C）: 130 °C
• 融点（°C）: -95 °C
• 分子量: 151.040 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 150.004 Da
• Monoisotopic Mass: 150.004 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 19.900
• 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

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