2,4-Dibromobenzoic acid - ≥98% , CAS No.611-00-7

CAS: 611-00-7 Cat. No.: D123768 Formula: C₇H₄Br₂O₂ Peso molecolare: 279.92 Numero EC: 210-245-7

QUALITÀ & PUREZZA ≥98%

Synonyms

2,4-Dibromobenzoicacid | STL554993 | AKOS005257271 | SY022642 | A8488 | CL8011 | AM83988 | DTXSID60209971 | NAGGYODWMPFKJQ-UHFFFAOYSA-N | EINECS 210-245-7 | UNII-VN4H7899AA | MFCD00234253 | 2,4-DIBROMOBENZOIC ACID | 2,4-dibromo-benzoic acid | Z1259341990

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

2,4-Dibromobenzoicacid | STL554993 | AKOS005257271 | SY022642 | A8488 | CL8011 | AM83988 | DTXSID60209971 | NAGGYODWMPFKJQ-UHFFFAOYSA-N | EINECS 210-245-7 | UNII-VN4H7899AA | MFCD00234253 | 2,4-DIBROMOBENZOIC ACID | 2,4-dibromo-benzoic acid | Z1259341990

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488181467

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181467

Sorrisi canonici

C1=CC(=C(C=C1Br)Br)C(=O)O

IUPAC Name

2,4-dibromobenzoic acid

InChIKey

NAGGYODWMPFKJQ-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1=CC(=C(C=C1Br)Br)C(=O)O

Peso molecolare

279.92

Reaxy-Rn

2614293

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2614293&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 Halobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: Halobenzoic acids
• Alternative Parents: 4-halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Bromobenzenes Aryl bromides Vinylogous halides Monocarboxylic acids and derivatives Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - Halobenzoic acid - 4-halobenzoic acid - 2-halobenzoic acid - 4-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 171.0-175.0℃
• Peso molecolare: 279.910 g/mol
• XLogP3: 2.900
• 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: 161.000
• 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

Domande frequenti

What documentation is provided?

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