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

CAS: 56970-78-6 Cat. No.: B135992 Formule: C₄H₇BrO₂ Poids moléculaire: 167 Beilstein Registry Number: 2(3)661 Numéro CE: 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

Synonymes

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 |

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%(GC)

Noms et identifiants

Pubchem Sid

504758409

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758409

Sourires canoniques

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)

Isomères SMILES

CC(CBr)C(=O)O

Poids moléculaire

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
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive;Moisture sensitive.
• Indice de réfraction: 1.48
• Point d'ébullition (°C): 231 °C
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 56970-78-6, the molecular formula is C4H7BrO2, and the molecular weight is 167 g/mol. InChIKey BUPXDXGYFXDDAA-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.