2-(2,6-Dibromophenyl)acetic acid - ≥98% , CAS No.901310-02-9

CAS: 901310-02-9 Cat. No.: D195719 Fórmula: C₈H₆Br₂O₂ Peso molecular: 293.94 Número CE: 813-888-7

GRADE & PURITY ≥98%

Synonyms

2-(2,6-Dibromophenyl)acetic acid|901310-02-9|2,6-Dibromo phenylacetic acid|2,6-Dibromophenylacetic acid|MFCD09832981|(2,6-Dibromophenyl)acetic acid|2,6-Dibromophenylaceticacid|SCHEMBL19475267|2,?6-?Dibromobenzeneacetic acid|DTXSID30652334|BBL102888|CL8750

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-(2,6-Dibromophenyl)acetic acid | 901310-02-9 | 2,6-Dibromo phenylacetic acid | 2,6-Dibromophenylacetic acid | MFCD09832981 | (2,6-Dibromophenyl)acetic acid | 2,6-Dibromophenylaceticacid | SCHEMBL19475267 | 2,?6-?Dibromobenzeneacetic acid | DTXSID30652334 | BBL102888 | CL8750

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504770107
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770107
• Sorrisos canónicos: C1=CC(=C(C(=C1)Br)CC(=O)O)Br
• IUPAC Name: 2-(2,6-dibromophenyl)acetic acid
• InChIKey: CMKYVLDNDMKQSH-UHFFFAOYSA-N
• INCHI: 1S/C8H6Br2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
• SMILES isoméricas: C1=CC(=C(C(=C1)Br)CC(=O)O)Br
• Peso molecular: 293.94
• Reaxy-Rn: 10428973
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10428973&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a 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

Propriedades químicas e físicas

• Peso molecular: 293.940 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 293.871 Da
• Monoisotopic Mass: 291.873 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 162.000
• 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