2'-Bromo-4'-fluoroacetanilide - ≥98% , CAS No.1009-22-9

CAS: 1009-22-9 Cat. No.: B152532 Summenformel: C₈H₇BrFNO Molekulargewicht: 232.05 EG-Nummer: 600-141-3

GRADE & PURITY ≥98%

Synonyms

FT-0611445 | Maybridge3_000074 | MFCD00061118 | n-acetyl-2-bromo-4-fluoroaniline | AC-15660 | HMS1431D08 | AS-63600 | D88957 | Acetamide, N-(2-bromo-4-fluorophenyl)- | SCHEMBL422893 | EC 600-141-3 | B2721 | J-000260 | A800298 | JAVSBNOXENOHEI-UHFFFAOYSA-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

FT-0611445 | Maybridge3_000074 | MFCD00061118 | n-acetyl-2-bromo-4-fluoroaniline | AC-15660 | HMS1431D08 | AS-63600 | D88957 | Acetamide, N-(2-bromo-4-fluorophenyl)- | SCHEMBL422893 | EC 600-141-3 | B2721 | J-000260 | A800298 | JAVSBNOXENOHEI-UHFFFAOYSA-

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488191094

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191094

Kanonisches Lächeln

CC(=O)NC1=C(C=C(C=C1)F)Br

IUPAC Name

N-(2-bromo-4-fluorophenyl)acetamide

InChIKey

JAVSBNOXENOHEI-UHFFFAOYSA-N

INCHI

1S/C8H7BrFNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)

Isomere SMILES

CC(=O)NC1=C(C=C(C=C1)F)Br

Molekulargewicht

232.05

Reaxy-Rn

2803940

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803940&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Acetanilides
          • Ebene6 Haloacetanilides
            • Ebene7 O-haloacetanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Acetanilides - Haloacetanilides
• Direct Parent: O-haloacetanilides
• Alternative Parents: P-haloacetanilides N-acetylarylamines Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-haloacetanilide - P-haloacetanilide - N-acetylarylamine - N-arylamide - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organobromide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as o-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn ortho-substituted with a halogen 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 116-119°C
• Molekulargewicht: 232.050 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 230.97 Da
• Monoisotopic Mass: 230.97 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 176.000
• 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

Häufig gestellte Fragen

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 room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1009-22-9, the molecular formula is C8H7BrFNO, and the molecular weight is 232.05 g/mol. InChIKey JAVSBNOXENOHEI-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.