Bromothymol blue sodium salt - ACS , CAS No.34722-90-2

CAS: 34722-90-2 Cat. No.: B111792 Peso molecular: 646.36 Beilstein Registry Number: 6887926 Número EC: 252-169-7

GRADE & PURITY ACS

Synonyms

BTB | 3',3''-dibromothymolsulfonephthalein sodium salt | AMY22380 | Bromthymolblau Natriumsalz | D92219 | Q27275439 | AKOS024364981 | SCHEMBL222219 | Bromothymol Blue sodium salt

Storage

Room temperature

Shipped In

Normal

Descripción general

Bromothymol blue is a pH indicator for weak acids and bases. In neutral solution, it appears bluish-green. At pH above 7.6 it appears blue, and at pH below 6.0 it appears yellow.
Suitable for use: In preparations of pH indicator solutions In phospholipid staining on tissues and cells prepared on microscopy slides

Specifications

Sinónimos

BTB | 3', 3''-dibromothymolsulfonephthalein sodium salt | AMY22380 | Bromthymolblau Natriumsalz | D92219 | Q27275439 | AKOS024364981 | SCHEMBL222219 | Bromothymol Blue sodium salt

Especificaciones y pureza

ACS

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

ACS

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C=C(C(=C1Br)O)C(C)C)C(=C2C=C(C(=O)C(=C2C)Br)C(C)C)C3=CC=CC=C3S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;2-[(Z)-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-(3-bromo-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
• InChIKey: NMKFVGALBGZKGW-FKWCIMQXSA-M
• INCHI: 1S/C27H28Br2O5S.Na/c1-13(2)18-11-20(15(5)24(28)26(18)30)23(17-9-7-8-10-22(17)35(32,33)34)21-12-19(14(3)4)27(31)25(29)16(21)6;/h7-14,30H,1-6H3,(H,32,33,34);/q;+1/p-1/b23-21+
• Isómeros SMILES: CC1=C(C=C(C(=C1Br)O)C(C)C)/C(=C/2\C=C(C(=O)C(=C2C)Br)C(C)C)/C3=CC=CC=C3S(=O)(=O)[O-].[Na+]
• WGK Alemania: 3
• Peso molecular: 646.36
• Beilstein: 6887926
• Reaxy-Rn: 21404171
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21404171&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aromatic monoterpenoids Benzenesulfonic acids and derivatives Monocyclic monoterpenoids 1-sulfo,2-unsubstituted aromatic compounds Phenylpropanes Benzenesulfonyl compounds Cumenes P-quinomethanes Meta cresols O-bromophenols Toluenes Bromobenzenes Aryl bromides Alpha-haloketones Sulfonyls Organosulfonic acids Bromoalkenes Vinyl bromides Organic metal halides Organic oxides Organic sodium salts Organobromides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzenesulfonate - Arylsulfonic acid or derivatives - Cumene - Benzenesulfonyl group - Phenylpropane - 1-sulfo,2-unsubstituted aromatic compound - 2-halophenol - M-cresol - 2-bromophenol - P-quinomethane - Quinomethane - Halobenzene - Toluene - Bromobenzene - Phenol - Aryl bromide - Aryl halide - Alpha-haloketone - Organosulfonic acid - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Ketone - Cyclic ketone - Bromoalkene - Haloalkene - Vinyl halide - Organic metal halide - Vinyl bromide - Organic alkali metal salt - Organosulfur compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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: 646.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 645.982 Da
• Monoisotopic Mass: 643.984 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 1040.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

1. Chen Xiao, Zhang Zheng, Liu Xiaoxia, Cui Bo, Miao Wentao, Cheng Weiwei, Zhao Fengyun.  (2019)  Characteristics Analysis Reveals the Progress of Volvariella volvacea Mycelium Subculture Degeneration.  Frontiers in Microbiology,      [PMID:31551980] [10.3389/fmicb.2019.02045]

2. Qian Liu, Chaoping Xu, Heng Liang.  (2017)  Laser carved micro-crack channels in paper-based dilution devices.  TALANTA,      [PMID:28841992] [10.1016/j.talanta.2017.07.009]