5-Bromovaleric acid - ≥97% , CAS No.2067-33-6

CAS: 2067-33-6 Cat. No.: B106966 분자식: C₅H₉BrO₂ 분자량: 181.03 Beilstein Registry Number: 1745664 EC 번호: 218-185-3

GRADE & PURITY ≥97%

Synonyms

AKOS000120301 | UNII-Z7DY4J7HZR | B1169 | MFCD00004414 | Valeric acid, 5-bromo | Valeric acid, 5-bromo- | AM85660 | 5-bromoval eric acid | DTXSID2062163 | PD192647 | 5-BROMOPENTANOICACID | EINECS 218-185-3 | EN300-20664 | SCHEMBL214058 | 5-BROMOPENTANOIC

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

5-Bromovaleric Acid is used in the synthesis of inhibitors for aminoglycoside resistant bacteria. 5-Bromovaleric acid is also used in the preparation of sequence specific base pair mimics as topoisomerase IB inhibitors.
Used in the synthesis of inhibitors for aminoglycoside resistant bacteria.

Specifications

동의어

AKOS000120301 | UNII-Z7DY4J7HZR | B1169 | MFCD00004414 | Valeric acid, 5-bromo | Valeric acid, 5-bromo- | AM85660 | 5-bromoval eric acid | DTXSID2062163 | PD192647 | 5-BROMOPENTANOICACID | EINECS 218-185-3 | EN300-20664 | SCHEMBL214058 | 5-BROMOPENTANOIC

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 504752752
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752752
• 정식 스마일: C(CCBr)CC(=O)O
• IUPAC Name: 5-bromopentanoic acid
• InChIKey: WNXNUPJZWYOKMW-UHFFFAOYSA-N
• INCHI: 1S/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
• 이성체 SMILES: C(CCBr)CC(=O)O
• WGK 독일: 3
• UN 번호: 3261
• 분자량: 181.03
• Beilstein: 1745664
• Reaxy-Rn: 1745664
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745664&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Halogenated fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Halogenated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
• 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

화학 및 물리적 특성

• 용해성: Solubility in water: insoluble Solubility in other solvents: soluble in ethanol
• 감도: Light sensitive.
• 발화점(°F): 230 °F
• 발화점(°C): >110℃
• 끓는점(°C): 142-145°C
• 녹는점(°C): 38-40°C
• 분자량: 181.030 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.979 Da
• Monoisotopic Mass: 179.979 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.800
• 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

참고 문헌

1. Hong Zhu, Chengdong Peng, Jiayi Li, Xuanyu Cao, Yuexiao Pan.  (2022)  A study on the reversible anion-exchange rate in perovskite CsPbX3 nanocrystals.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2022.119321]

2. Junjun Wang, Yize Zhang, Zhi-Peng Yu, Houshi Huang, Lei Chen, Xiaojiao Zhu, Jie Zhang, Lianke Wang, Jianhua Yu, Hongping Zhou.  (2021)  Diversified photo-energy conversion based on single-molecule FRET to realize enhanced phototheranostics.  Materials Chemistry Frontiers,  5  (23): (8229-8237).  [PMID:] [10.1039/D1QM01105G]

3. Caixia Yue, Yuming Yang, Jie Song, Gabriel Alfranca, Chunlei Zhang, Qian Zhang, Ting Yin, Fei Pan, Jesús M. de la Fuente, Daxiang Cui.  (2017)  Mitochondria-targeting near-infrared light-triggered thermosensitive liposomes for localized photothermal and photodynamic ablation of tumors combined with chemotherapy.  Nanoscale,  9  (31): (11103-11118).  [PMID:28741634] [10.1039/C7NR02193C]

4. Shiyi Zuo, Tian Liu, Lingxiao Li, Hezhen Xu, Jiayu Guo, Qing Wang, Yinxian Yang, Zhonggui He, Jin Sun, Bingjun Sun.  (2024)  Tetrasulfide bond boosts the anti-tumor efficacy of dimeric prodrug nanoassemblies.  Cell Reports Medicine,      [PMID:38387464] [10.1016/j.xcrm.2024.101432]

5. Junyang Yin, Jie Zhang, Wen Pan, Zhenzi Wu, Feng Wu, Jiangnan Dai, Jiajun Luo, Changqing Chen.  (2025)  Fully Aqua-Mediated Ripening of Perovskite Quantum Dots with 98% PLQY and Self-Assembly into Bioimaging Nanoparticles.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202514590]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2067-33-6, the molecular formula is C5H9BrO2, and the molecular weight is 181.03 g/mol. InChIKey WNXNUPJZWYOKMW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.