2-Bromopropionic Acid tert-Butyl Ester - ≥97% , CAS No.39149-80-9

CAS: 39149-80-9 Cat. No.: B119910 Formule: C₇H₁₃BrO₂ Poids moléculaire: 209.08 Numéro CE: 675-664-3

GRADE & PURITY ≥97%

Synonyms

tert-Butyl 2-bromopropanoate # | FT-0639530 | 2-bromopropionic acid, tert-butyl ester | tert-Butyl 2-bromopropanoate, AldrichCPR | 2-Bromopropionic acid tert-butyl ester | SY052208 | (+/-) 2-Bromopropionic acid tert-butyl ester | bromopropionic acid tert-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

tert-Butyl 2-bromopropanoate # | FT-0639530 | 2-bromopropionic acid, tert-butyl ester | tert-Butyl 2-bromopropanoate, AldrichCPR | 2-Bromopropionic acid tert-butyl ester | SY052208 | (+/-) 2-Bromopropionic acid tert-butyl ester | bromopropionic acid tert-

Spécifications et pureté

≥97%

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%

Noms et identifiants

• Pubchem Sid: 504759194
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759194
• Sourires canoniques: CC(C(=O)OC(C)(C)C)Br
• IUPAC Name: tert-butyl 2-bromopropanoate
• InChIKey: CVAWKJKISIPBOD-UHFFFAOYSA-N
• INCHI: 1S/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3
• Isomères SMILES: CC(C(=O)OC(C)(C)C)Br
• Poids moléculaire: 209.08
• Reaxy-Rn: 1703357
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1703357&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acid derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom.
• 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,Heat Sensitive
• Indice de réfraction: 1.4380 to 1.4410
• Point d'éclair (°C): 63 °C
• Point d'ébullition (°C): 62°C
• Poids moléculaire: 209.080 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 208.01 Da
• Monoisotopic Mass: 208.01 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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

Foire aux questions

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 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 39149-80-9, the molecular formula is C7H13BrO2, and the molecular weight is 209.08 g/mol. InChIKey CVAWKJKISIPBOD-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.