2,6-Dibromobenzoic Acid - ≥98% , CAS No.601-84-3

CAS: 601-84-3 Cat. No.: D404264 Summenformel: C₇H₄Br₂O₂ Molekulargewicht: 279.92 EG-Nummer: 835-540-3

GRADE & PURITY ≥98%

Synonyms

Z1269212695 | D5485 | Benzoic acid, 2,6-dibromo- | AKOS015855835 | FT-0651810 | 2,6-dibromobenzoic acid | 4-(5-(furan-3-ylmethyl)-4,5,6,7-tetrahydrooxazolo[4,5-c]pyridin-2-yl)benzoic acid | EN300-113231 | A832632 | SY017641 | AS-19876 | W-203243 | AMY2842

Storage

Room temperature

Übersicht

Maximum Absorption Wavelength:242(Cyclohexane)nm

Specifications

Synonyme

Z1269212695 | D5485 | Benzoic acid, 2,6-dibromo- | AKOS015855835 | FT-0651810 | 2,6-dibromobenzoic acid | 4-(5-(furan-3-ylmethyl)-4,5,6,7-tetrahydrooxazolo[4,5-c]pyridin-2-yl)benzoic acid | EN300-113231 | A832632 | SY017641 | AS-19876 | W-203243 | AMY2842

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488194855

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194855

Kanonisches Lächeln

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

IUPAC Name

2,6-dibromobenzoic acid

InChIKey

HQLOEBRPCVIFCT-UHFFFAOYSA-N

INCHI

1S/C7H4Br2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

Isomere SMILES

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

Molekulargewicht

279.92

Reaxy-Rn

1948620

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1948620&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Halobenzoic acids and derivatives
          • Ebene6 Halobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: Halobenzoic acids
• Alternative Parents: 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Bromobenzenes Aryl bromides Vinylogous halides Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - Halobenzoic acid - 2-halobenzoic acid - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
• 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
• Siedepunkt (°C): 335 °C
• Schmelzpunkt (°C): 152 °C
• Molekulargewicht: 279.910 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 279.856 Da
• Monoisotopic Mass: 277.858 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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.

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

The CAS Number is 601-84-3, the molecular formula is C7H4Br2O2, and the molecular weight is 279.92 g/mol. InChIKey HQLOEBRPCVIFCT-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.