Bromocresol purple - ≥98% , CAS No.115-40-2

CAS: 115-40-2 Cat. No.: B101196 Peso molecular: 540.22 Número EC: 204-087-8

GRADE & PURITY ≥98%

Synonyms

BCP | 4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromo-6-methylphenol) | MFCD00011681 | 4,4'-(3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(2-BROMO-6-METHYLPHENOL) S,S-DIOXIDE | 5,5'-Dibromo-o-cresolsulfonphthalein | DTXSID3059428 | Bromocresol Purple, Tec

Storage

Room temperature

Shipped In

Normal

Descripción general

Bromocresol purple is a pH indicator. It changes from yellow (5.2) to purple (6.8).

Product Usage

Bromocresol purple has been used as a pH indicator in the yeast culture media.It has been used as a pH indicator in the culture media of Geobacillus stearothermophilus subsp. Calidolactis.

Specifications

Sinónimos

BCP | 4, 4'-(1, 1-dioxido-3H-2, 1-benzoxathiole-3, 3-diyl)bis(2-bromo-6-methylphenol) | MFCD00011681 | 4, 4'-(3H-2, 1-BENZOXATHIOL-3-YLIDENE)BIS(2-BROMO-6-METHYLPHENOL) S, S-DIOXIDE | 5, 5'-Dibromo-o-cresolsulfonphthalein | DTXSID3059428 | Bromocresol Purple, Tec

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180742
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180742
• Sonrisas canónicas: CC1=CC(=CC(=C1O)Br)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)Br
• IUPAC Name: 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-6-methylphenol
• InChIKey: ABIUHPWEYMSGSR-UHFFFAOYSA-N
• INCHI: 1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3
• Isómeros SMILES: CC1=CC(=CC(=C1O)Br)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)Br
• Peso molecular: 540.22
• Reaxy-Rn: 359618
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=359618&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 Ortho cresols O-bromophenols Toluenes Bromobenzenes 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 - O-cresol - Bromobenzene - Halobenzene - Toluene - 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: organobromine compound - polyphenol - arenesulfonate ester - 2,1-benzoxathiole - sultone

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

• Solubilidad: Insoluble in water. Soluble in ethanol (80 mg/ml), alcohol, methanol (4 mg/ml), methyl cellosolve (300 mg/ml) and dilute alkalies.
• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 245°C
• Peso molecular: 540.200 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 539.906 Da
• Monoisotopic Mass: 537.909 Da
• Topological Polar Surface Area: 92.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 680.000
• 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

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