3-Bromo-2-(bromomethyl)propionic Acid - ≥98%(T) , CAS No.41459-42-1

CAS: 41459-42-1 Cat. No.: B136320 Peso molecular: 245.9 Beilstein Registry Number: 2(4)865 Número EC: 609-928-6

GRADE & PURITY ≥98%(T)

Synonyms

Propionic acid, 3-bromo-2-(bromomethyl)- | 3-Bromo-2-(bromomethyl);propanoic acid | EN300-140319 | 3-Bromo-2-(bromomethyl)propanoic acid | BP-12374 | S10906 | A,A'-Dibromoisobutyric acid | MFCD00010643 | AMY15543 | A6853 | .beta.,.beta.-Dibromoisobutyric

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

3-Bromo-2-(bromomethyl)propionic acid reacts with alkaline arsenite to yield (RS)-3-arsono-2-(hydroxymethyl)propionic acid.
3-Bromo-2-(bromomethyl)propionic acid was used in the synthesis of t-butyl 2-(phenylthiomethyl)propenoate, t-butyl and methyl 3-(phenylthio)-2-(phenylthiomethyl)propenoate and 3-(phenylthio)-2-(phenyl- sulfinylmethyl)propenoate.

Specifications

Sinónimos

Propionic acid, 3-bromo-2-(bromomethyl)- | 3-Bromo-2-(bromomethyl);propanoic acid | EN300-140319 | 3-Bromo-2-(bromomethyl)propanoic acid | BP-12374 | S10906 | A, A'-Dibromoisobutyric acid | MFCD00010643 | AMY15543 | A6853 | .beta., .beta.-Dibromoisobutyric

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504758459
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758459
• Sonrisas canónicas: C(C(CBr)C(=O)O)Br
• IUPAC Name: 3-bromo-2-(bromomethyl)propanoic acid
• InChIKey: QQZJWQCLWOQDQV-UHFFFAOYSA-N
• INCHI: 1S/C4H6Br2O2/c5-1-3(2-6)4(7)8/h3H,1-2H2,(H,7,8)
• Isómeros SMILES: C(C(CBr)C(=O)O)Br
• WGK Alemania: 3
• Peso molecular: 245.9
• Beilstein: 2(4)865
• Reaxy-Rn: 1752505
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752505&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in acetic acid.
• Sensibilidad: Heat sensitive
• Punto de fusión (°C): 98.0 to 103.0°C
• Peso molecular: 245.900 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 245.871 Da
• Monoisotopic Mass: 243.873 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.100
• 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

Referencias

1. Wenjun Zhang, Tingyan Ye, Shuangjiang Li, Yiyan Liu, Xiliang Li, Juan Li, Yunfei Zhi, Tianding Hu, Donghui Liu, Shaoyun Shan, Yi Liu.  (2026)  Simple preparation of poly(ionic liquids) containing hydrogen bond donors for efficient catalysis of CO2 cycloaddition.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2026.139577]