3-Bromo-2-methylpropionic Acid - ≥97%(GC) , CAS No.56970-78-6

CAS: 56970-78-6 Cat. No.: B135992 Peso molecular: 167 Beilstein Registry Number: 2(3)661 Número EC: 641-710-6

GRADE & PURITY ≥97%(GC)

Synonyms

3-Bromoisobutyric Acid | 3-bromo-2-methylpropanoicacid | (2RS)-3-BROMO-2-METHYLPROPANOIC ACID | (2RS)-3-Bromo-2-methyl-propanoic Acid | Z1201620907 | 07304AI75I | 2-methyl-3-bromopropionic acid | PROPIONIC ACID, 3-BROMO-2-METHYL- | HY-W015332 | AS-10606 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

3-Bromoisobutyric Acid | 3-bromo-2-methylpropanoicacid | (2RS)-3-BROMO-2-METHYLPROPANOIC ACID | (2RS)-3-Bromo-2-methyl-propanoic Acid | Z1201620907 | 07304AI75I | 2-methyl-3-bromopropionic acid | PROPIONIC ACID, 3-BROMO-2-METHYL- | HY-W015332 | AS-10606 |

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 504758409
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758409
• Sonrisas canónicas: CC(CBr)C(=O)O
• IUPAC Name: 3-bromo-2-methylpropanoic acid
• InChIKey: BUPXDXGYFXDDAA-UHFFFAOYSA-N
• INCHI: 1S/C4H7BrO2/c1-3(2-5)4(6)7/h3H,2H2,1H3,(H,6,7)
• Isómeros SMILES: CC(CBr)C(=O)O
• Peso molecular: 167
• Beilstein: 2(3)661
• Reaxy-Rn: 1720961
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720961&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

• Sensibilidad: Air Sensitive;Moisture sensitive.
• Índice de refracción: 1.48
• Punto de ebullición (°C): 231 °C
• Peso molecular: 167.000 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.963 Da
• Monoisotopic Mass: 165.963 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 72.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1