2-Bromo-4-methylpentanoic acid - ≥97% , CAS No.42990-24-9

CAS: 42990-24-9 Cat. No.: B193385 Formula: C₆H₁₁BrO₂ Peso molecolare: 195.05 Numero EC: 836-595-6

GRADE & PURITY ≥97%

Synonyms

(2R)-2-Bromo-4-methylpentanoic acid; (R)-2-Bromo-4-methylpentanoic acid; D-alpha-Bromo-gamma-methylvaleric acid; D-alpha-Bromoisocaproic acid | alpha-bromoisocaproic acid | SCHEMBL489804 | SY114157 | FT-0655379 | AKOS006275075 | MFCD00211265 | A872778 | N

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

(2R)-2-Bromo-4-methylpentanoic acid; (R)-2-Bromo-4-methylpentanoic acid; D-alpha-Bromo-gamma-methylvaleric acid; D-alpha-Bromoisocaproic acid | alpha-bromoisocaproic acid | SCHEMBL489804 | SY114157 | FT-0655379 | AKOS006275075 | MFCD00211265 | A872778 | N

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504757247

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757247

Sorrisi canonici

CC(C)CC(C(=O)O)Br

IUPAC Name

2-bromo-4-methylpentanoic acid

InChIKey

NNFDHJQLIFECSR-UHFFFAOYSA-N

INCHI

1S/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)

Isomeri SMILES

CC(C)CC(C(=O)O)Br

Peso molecolare

195.05

Reaxy-Rn

1721739

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721739&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Halogenated fatty acids
• Alternative Parents: Methyl-branched fatty acids Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl-branched fatty acid - Halogenated fatty acid - Branched fatty acid - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 195.050 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 193.994 Da
• Monoisotopic Mass: 193.994 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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

Domande frequenti

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 42990-24-9, the molecular formula is C6H11BrO2, and the molecular weight is 195.05 g/mol. InChIKey NNFDHJQLIFECSR-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.