Bromodifluoroacetic acid - ≥98% , CAS No.354-08-5

CAS: 354-08-5 Cat. No.: B183971 Formula: C₂HBrF₂O₂ Peso molecolare: 174.9 Numero EC: 674-544-8

GRADE & PURITY ≥98%

Synonyms

FS-4424 | AKOS009158673 | MFCD02183519 | EN300-31561 | STL555605 | C2HBrF2O2 | A822778 | AT18902 | bromo(difluoro)acetic acid | FT-0632021 | SCHEMBL321451 | Acetic acid,2-bromo-2,2-difluoro- | Q27460381 | 2-bromo-2,2-difluoroacetic acid | BBL101808 | Z328

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

FS-4424 | AKOS009158673 | MFCD02183519 | EN300-31561 | STL555605 | C2HBrF2O2 | A822778 | AT18902 | bromo(difluoro)acetic acid | FT-0632021 | SCHEMBL321451 | Acetic acid,2-bromo-2,2-difluoro- | Q27460381 | 2-bromo-2,2-difluoroacetic acid | BBL101808 | Z328

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C(=O)(C(F)(F)Br)O

IUPAC Name

2-bromo-2,2-difluoroacetic acid

InChIKey

LZCMQBRCQWOSHZ-UHFFFAOYSA-N

INCHI

1S/C2HBrF2O2/c3-2(4,5)1(6)7/h(H,6,7)

Isomeri SMILES

C(=O)(C(F)(F)Br)O

Peso molecolare

174.9

Reaxy-Rn

1703073

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1703073&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 acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 41 °C
• Peso molecolare: 174.930 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 173.913 Da
• Monoisotopic Mass: 173.913 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 91.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% 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 354-08-5, the molecular formula is C2HBrF2O2, and the molecular weight is 174.9 g/mol. InChIKey LZCMQBRCQWOSHZ-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.