3-Bromo-2-metilpropeno - ≥95% , CAS No.1458-98-6

CAS: 1458-98-6 Cat. No.: B101577 Fórmula: C₄H₇Br Peso molecular: 135 Número CE: 604-496-5

GRADE & PURITY ≥95%

Synonyms

BBL104072 | Brometo de metilo | 2-(Bromometil)prop-1-eno | 3-Bromo-2-metilpropeno (0,1% inibidor de hidroquinona adicionado) | 3-bromo-2-metil-propeno | 3-bromo-2-metil-propeno-1-eno | 3-bromo-2-metilpropeno-1-eno | brometo de metilo | USEGQJLHQSTGHW-UHFF

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Visão geral

O isomerismo rotacional no 3-bromo-2-metilpropeno foi estudado por espetroscopia de infravermelhos.
Utilizado num estudo de alquilação de transferência de fase quiral que conduz a (S)-å-alquilcisteínas.

pode ser utilizado o 3-bromo-2-metilpropeno:

- na síntese de alqueniliminas

- na síntese do complexo de 2-metilpropenil ("metil"), Cp*Os(η3-allyl)Br2

- num estudo da alquilação quiral por transferência de fase conducente a (S)-α-alquilcisteínas

Specifications

Sinónimos

BBL104072 | Brometo de metilo | 2-(Bromometil)prop-1-eno | 3-Bromo-2-metilpropeno (0,1% inibidor de hidroquinona adicionado) | 3-bromo-2-metil-propeno | 3-bromo-2-metil-propeno-1-eno | 3-bromo-2-metilpropeno-1-eno | brometo de metilo | USEGQJLHQSTGHW-UHFF

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 504758584
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758584
• Sorrisos canónicos: CC(=C)CBr
• IUPAC Name: 3-bromo-2-methylprop-1-ene
• InChIKey: USEGQJLHQSTGHW-UHFFFAOYSA-N
• INCHI: 1S/C4H7Br/c1-4(2)3-5/h1,3H2,2H3
• SMILES isoméricas: CC(=C)CBr
• WGK Alemanha: 3
• Número UN: 2924
• Peso molecular: 135
• Reaxy-Rn: 1697908
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697908&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: heat & Light sensitive
• Índice de refração: 1.472
• Ponto de inflamação (°F): 44.6 °F
• Ponto de inflamação (°C): 7 °C
• Ponto de ebulição (°C): 94-95°C
• Peso molecular: 135.000 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 133.973 Da
• Monoisotopic Mass: 133.973 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 38.900
• 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

Referências

1. Jianan Guan, Xiao Liu, Guanghong Lai, Qifeng Luo, Shanshan Qian, Jiayu Zhan, Ziming Wang, Suping Cui.  (2020)  Effect of sulfonation modification of polycarboxylate superplasticizer on tolerance enhancement in sulfate.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2020.122095]

2. Junlian Wang, Xiumin Yang, Chengqiang Hu, Ruiyi Sun, Guodong Xu.  (2025)  Adsorption and separation of zirconium and hafnium from sulfate media by a conveniently synthesized (2,4,4-trimethylpentyl)(2-methylpropyl)phosphinic acid functionalized Merrifield Resin: A combined study of experiments and DFT calculations.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:40163936] [10.1016/j.chroma.2025.465894]

3. Jianan Guan, Xiao Liu, Shaojing Liu, Ruijun Gao, Ziming Wang, Suping Cui.  (2024)  Comb polymer with ionic side chains as a novel dispersant for cement slurries: Synthesis, characterization and working mechanism.  ADVANCED POWDER TECHNOLOGY,      [PMID:] [10.1016/j.apt.2023.104323]

4. Jianan Guan, Guanghong Lai, Min Huang, Gang Chen, Jiansong Yuan, Xiao Liu, Shanshan Qian, Yunbo Xu, Haitang Zhu, Ziming Wang, Suping Cui.  (2026)  Functionalized carboxymethyl chitosan synthesis and its regulation mechanism on the temperature rise of cement slurry.  CEMENT AND CONCRETE RESEARCH,      [PMID:] [10.1016/j.cemconres.2026.108369]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% 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 1458-98-6, the molecular formula is C4H7Br, and the molecular weight is 135 g/mol. InChIKey USEGQJLHQSTGHW-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.