(R)-3-Bromo-2-hydroxy-2-methylpropionic Acid - ≥97% , CAS No.261904-39-6

CAS: 261904-39-6 Cat. No.: R160936 Molecular Weight: 183 EC Number: 803-682-5 PubChem CID: 10582468

GRADE & PURITY ≥97%

Synonyms

(2R)-3-BROMO-2-HYDROXY-2-METHYLPROPANOIC ACID | (2R)-3-bromo-2-hydroxy-2-methyl-propanoic Acid | (2r)-3-bromo2-hydroxy-2-methylpropanoic acid | (2R)3-Bromo-2-hydroxy-2-methylpropanoic Acid | (R)-3-Bromo-2-hydroxy-2-methylpropanic acid | HBJAYXGUOOININ-BYP

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(2R)-3-BROMO-2-HYDROXY-2-METHYLPROPANOIC ACID | (2R)-3-bromo-2-hydroxy-2-methyl-propanoic Acid | (2r)-3-bromo2-hydroxy-2-methylpropanoic acid | (2R)3-Bromo-2-hydroxy-2-methylpropanoic Acid | (R)-3-Bromo-2-hydroxy-2-methylpropanic acid | HBJAYXGUOOININ-BYP

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488196722
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196722
• Canonical Smiles: CC(CBr)(C(=O)O)O
• IUPAC Name: (2R)-3-bromo-2-hydroxy-2-methylpropanoic acid
• InChIKey: HBJAYXGUOOININ-BYPYZUCNSA-N
• INCHI: 1S/C4H7BrO3/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H,6,7)/t4-/m0/s1
• Isomeric SMILES: C[C@](CBr)(C(=O)O)O
• PubChem CID: 10582468
• Molecular Weight: 183

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Hydroxy acids and derivatives
      • Subclass Alpha hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Hydroxy acids and derivatives
• Subclass: Alpha hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha hydroxy acids and derivatives
• Alternative Parents: Tertiary alcohols Bromohydrins Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydroxy acid - Tertiary alcohol - Bromohydrin - Halohydrin - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alcohol - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water
• Specific Rotation[α]: 11° (C=2.6,MeOH)
• Melt Point(°C): 115 °C
• Molecular Weight: 183.000 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 181.958 Da
• Monoisotopic Mass: 181.958 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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