Bromophenol red - AR, ≥80% , CAS No.2800-80-8

CAS: 2800-80-8 Cat. No.: B104988 Peso molecular: 512.17 Beilstein Registry Number: 354317 Número EC: 220-538-1

GRADE & PURITY AR, ≥80%

Synonyms

Bromophenol red (sultone form) | AKOS015903430 | Bromophenol red | RCL L132012 | 2-bromo-4-[3-(3-bromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol | Bromphenolrot | T70710 | FT-0623212 | Q904434 | BromophenolRed | 4,4'-(3H-2,1-Benzoxath

Shipped In

Normal

Specifications

Sinónimos

Bromophenol red (sultone form) | AKOS015903430 | Bromophenol red | RCL L132012 | 2-bromo-4-[3-(3-bromo-4-hydroxyphenyl)-1, 1-dioxo-2, 1lambda6-benzoxathiol-3-yl]phenol | Bromphenolrot | T70710 | FT-0623212 | Q904434 | BromophenolRed | 4, 4'-(3H-2, 1-Benzoxath

Especificaciones y pureza

AR, ≥80%

Enviado en

Normal

Grado

AR

Pureza

≥80%

Nombres e identificadores

• Pubchem Sid: 488185205
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185205
• Sonrisas canónicas: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)Br)C4=CC(=C(C=C4)O)Br
• IUPAC Name: 2-bromo-4-[3-(3-bromo-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol
• InChIKey: OYCLSQDXZMROJK-UHFFFAOYSA-N
• INCHI: 1S/C19H12Br2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H
• Isómeros SMILES: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)Br)C4=CC(=C(C=C4)O)Br
• Peso molecular: 512.17
• Beilstein: 354317
• Reaxy-Rn: 354317
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=354317&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzofurans
      • Subclass Benzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzofurans
• Subclass: Benzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofuranones
• Alternative Parents: Phthalides Benzoxathioles O-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acid esters Aryl bromides Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuranone - Phthalide - Benzoxathiole - 2-halophenol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
• 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

Propiedades químicas y físicas

• Peso molecular: 512.200 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 511.875 Da
• Monoisotopic Mass: 509.877 Da
• Topological Polar Surface Area: 92.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 625.000
• 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

Referencias

1. Yixuan Pan, Maohua Yang, Mei Zhang, Mingyan Jia.  (2019)  Rapid discrimination of commercial American ginseng and Asian ginseng according to diols composition using a colorimetric sensor array.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2019.05.029]

2. Xin Zhang, Dapeng Li, Ke Jiang, Chao Zeng, Mi He, Xiancheng Ma, Chongshan Yang, Ling Li, Tao Wen.  (2026)  MOF-enhanced colorimetric sensor array for early detection of citrus infestation by Bactrocera dorsalis.  POSTHARVEST BIOLOGY AND TECHNOLOGY,      [PMID:] [10.1016/j.postharvbio.2026.114242]