2-Bromopropane - analytical standard, ≥99.8%(GC) , CAS No.75-26-3

CAS: 75-26-3 Cat. No.: B109116 分子式: C₃H₇Br 分子量: 122.99 Beilstein Registry Number: 741852 EC番号: 200-855-1

GRADE & PURITY Analytical standard, ≥99.8%(GC)

Synonyms

2-Bromopropane|75-26-3|ISOPROPYL BROMIDE|Propane, 2-bromo-|Isopropylbromide|2-BROMO-PROPANE|sec-Propyl bromide|2-bromo propane|UN2344|2-Bromopropane-d6|R651XOV97Z|DTXSID7030197|MFCD00000147|CCRIS 7919|HSDB 623|2-Bromopropane, 99%|EINECS 200-855-1|UNII-R65

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

2-Bromopropane | 75-26-3 | ISOPROPYL BROMIDE | Propane, 2-bromo- | Isopropylbromide | 2-BROMO-PROPANE | sec-Propyl bromide | 2-bromo propane | UN2344 | 2-Bromopropane-d6 | R651XOV97Z | DTXSID7030197 | MFCD00000147 | CCRIS 7919 | HSDB 623 | 2-Bromopropane, 99% | EINECS 200-855-1 | UNII-R65

仕様と純度

analytical standard, ≥99.8%(GC)

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

純度

≥99.8%(GC)

名前と識別子

• パブケム・シド: 508814534
• カノニカル・スマイル: CC(C)Br
• IUPAC Name: 2-bromopropane
• InChIKey: NAMYKGVDVNBCFQ-UHFFFAOYSA-N
• INCHI: 1S/C3H7Br/c1-3(2)4/h3H,1-2H3
• 異性体SMILES: CC(C)Br
• WGKドイツ: 1
• RTECS: TX4111000
• UN番号: 2344
• 分子量: 122.99
• Beilstein: 741852
• Reaxy-Rn: 741852
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741852&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

関連ターゲット（人間）

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.4251
• 引火点（°F）: 66.2 °F
• 引火点（°C）: 19℃
• 沸点（°C）: 59.38°C
• 融点（°C）: -89°C
• 分子量: 122.990 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 121.973 Da
• Monoisotopic Mass: 121.973 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 10.800
• 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

参考文献

1. Zhong ZhenHua, Chen YuPing, Xia HongYing, Chen ZhenZhen, Cheng QiZhen.  (2021)  Development and Validation of a Sensitive GC–MS/MS Method for the Determination of Five Potential Genotoxic Impurities in Abiraterone Acetate.  JOURNAL OF CHROMATOGRAPHIC SCIENCE,  60  (2): (105-110).  [PMID:34059885] [10.1093/chromsci/bmab052]

2. Dan He, Ying Wu, Zhengping Liu, Tuo Zhao.  (2017)  The synthesis of poly(phenylene sulfide sulfone) in ionic liquids at atmospheric pressure.  RSC Advances,  7  (63): (39604-39610).  [PMID:] [10.1039/C7RA04627H]

3. Li Yongqiang, Yang Siwei, Bao Wancheng, Tao Quan, Jiang Xiuyun, Li Jipeng, He Peng, Wang Gang, Qi Kai, Dong Hui, Ding Guqiao, Xie Xiaoming.  (2024)  Accelerated proton dissociation in an excited state induces superacidic microenvironments around graphene quantum dots.  Nature Communications,  15  (1): (1-13).  [PMID:39103388] [10.1038/s41467-024-50982-x]

4. Ting Xu, Zihan Xue, Xinhui Li, Miaomiao Zhang, Ruige Yang, Shangshang Qin, Yong Guo.  (2025)  Development of Membrane-Targeting Osthole Derivatives Containing Pyridinium Quaternary Ammonium Moieties with Potent Anti-Methicillin-Resistant Staphylococcus aureus Properties.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:40205941] [10.1021/acs.jmedchem.4c03167]