Bromothymol blue - Ph.Eur., ACS, indicator , CAS No.76-59-5

CAS: 76-59-5 Cat. No.: B433768 Fórmula: C27H28Br2O5S Peso molecular: 624.38 Beilstein Registry Number: 373934 Número CE: 200-971-2
Disponível para encomenda
GRAU & PUREZA Ph.Eur. ? European Pharmacopoeia grade — conforms to Ph.Eur. monographs across EU member states. Use for pharmaceutical work needing European compendial compliance. ACS ? ACS grade — meets American Chemical Society specifications, the analytical benchmark in the US. Use for analytical and QC work needing ACS-defined purity. Indicator ? Indicator grade — characterized dye giving a defined color change at a known transition. Use to signal pH or titration endpoints visually.
Synonyms
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)-|Bromothymol blue|Dibromothymolsulfonphthalein|Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis*2-bromo-, S,S-dioxide|Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-, S,S-dioxide|Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-|bromothymol sulfone phthalein|Azul de bromotimol|2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-met- hylethyl)phenol) S,S-dioxide|Phenol,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide|Blu di bromotimolo|BROMTHYMOL BLUE|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide|Thymol,6'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-, S,S-dioxide|BROMTHYMOL BLUE [MI]|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis*2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide|Bromothymol blue indicator ph.eur|3,3-BIS(3-BROMO-4-HYDROXY-5-ISOPROPYL-2-METHYLPHENYL)-2,1LAMBDA~6~-BENZOXATHIOLE-1,1(3H)-DIONE|4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)phenol) S,S-dioxide|Phenol, 4,4'-(3H-2, {1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-,} S,S-dioxide|2-bromo-4-[3-(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-6-isopropyl-3-methyl-phenol|3,3'-DIBROMOTHYMOLSULFOPHTHALEIN|Bleu de bromothymol|3,3-bis[3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2,1lambda(6)-benzoxathiole-1,1(3H)-dione|3, 3'-Dibromothymolsulfonphthalein|Dibromothymolsulfophthalein|Thymol, 6,6'-(3H-2, {1-benzoxathiol-3-ylidene)bis[2-bromo-,} S,S-dioxide|3,3-Bis(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide|BROMOTHYMOL BLUE [INCI]|Bromthymolblau|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide|Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-, S,S-dioxide|3',3''-Dibromothymolsulfonphthalein|3,3'-Dibromothymolsulfonphthalein
Storage
Room temperature
Shipped In
Normal
★
Tamanho
Alemanha (EU)
USA*
Preço
Qtd
5g
B433768-5g
—
1 Em stock
163,05€
25g
B433768-25g
—
1 Em stock
412,09€
Enter a quantity for the sizes you want to add.

Especificações

Sinónimos
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl)- | Bromothymol blue | Dibromothymolsulfonphthalein | Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis*2-bromo-, S,S-dioxide | Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-, S,S-dioxide | Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-y Show more
Especificações e pureza
Ph.Eur., ACS, indicator
Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Grau
ACS, Indicator, Ph.Eur.
Nomes e identificadores
Pubchem Sid
Sorrisos canónicos
CC1=C(C=C(C(=C1Br)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)Br)C
IUPAC Name
2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol
InChIKey
NUHCTOLBWMJMLX-UHFFFAOYSA-N
INCHI
1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3
SMILES isoméricas
CC1=C(C=C(C(=C1Br)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)Br)C
WGK Alemanha
3
RTECS
SJ7450000
Peso molecular
624.38
Beilstein
373934
Reaxy-Rn
373934
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=373934&ln=

Dados avançados

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseBenzofurans
SubclassBenzofuranones
Intermediate Tree Nodes Not available
Direct ParentBenzofuranones
Alternative Parents Aromatic monoterpenoids  Phthalides  Bicyclic monoterpenoids  Phenylpropanes  Benzoxathioles  Cumenes  Meta cresols  O-bromophenols  Toluenes  Bromobenzenes  Aryl bromides  Organosulfonic acid esters  Oxacyclic compounds  Hydrocarbon derivatives  Organooxygen compounds  Organobromides  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents P-cymene - Aromatic monoterpenoid - Benzofuranone - Bicyclic monoterpenoid - Monoterpenoid - Phthalide - Benzoxathiole - Cumene - Phenylpropane - 2-halophenol - M-cresol - 2-bromophenol - Phenol - Bromobenzene - Toluene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Oxacycle - Organobromide - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
FEN1 Tchem Flap endonuclease 1 (12055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeDataItem
I2622014I2622014Certificate of AnalysisOct 07, 2026 B433768
I2622016I2622016Certificate of AnalysisOct 07, 2026 B433768
C2426090C2426090Certificate of AnalysisFeb 05, 2024 B433768
C2426112C2426112Certificate of AnalysisFeb 05, 2024 B433768
E2611084E2611084Certificate of AnalysisFeb 05, 2024 B433768
H2508077H2508077Certificate of AnalysisFeb 05, 2024 B433768
Propriedades químicas e físicas
Ponto de fusão (°C)200-202°C
Peso molecular624.400 g/mol
XLogP37.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass624 Da
Monoisotopic Mass622.002 Da
Topological Polar Surface Area92.200 Ų
Heavy Atom Count35
Formal Charge0
Complexity818.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
FAQs e artigos
Citations of This Product
Calculadoras de soluções
Revisões

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