Bromocresol green - Moligand™, 0.04% , CAS No.76-60-8

CAS: 76-60-8 Cat. No.: B196442 Fórmula: C21H14Br4O5S Peso molecular: 698.01 Beilstein Registry Number: 372527 Número CE: 200-972-8
Disponível para encomenda
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 0.04%
Synonyms
3',5',5''-Tetrabrom-m-cresolsulfonephthalein | BROMOCRESOL GREEN, ACS | m-Cresol,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide | Phenol,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, S,S-dioxide | Verde de bromocresol | 3',
Storage
Room temperature
Shipped In
Normal
★
Size
Alemanha (EU)
USA*
Price
Qty
100ml
B196442-100ml
—
3 Em stock

15,53€

18,14€
Gravar 2,60 € (14.35%)
500ml
B196442-500ml
2 Em stock
2 Em stock

47,64€

69,33€
Gravar 21,69 € (31.29%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

Moligand™, 0.04% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 55 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
3',5',5''-Tetrabrom-m-cresolsulfonephthalein | BROMOCRESOL GREEN, ACS | m-Cresol,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide | Phenol,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, S,S-dioxide | Verde de bromocresol | 3',
Especificações e pureza
Moligand™, 0.04%
Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Grau
Moligand™
Nomes e identificadores
Pubchem Sid
Sorrisos canónicos
CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br
IUPAC Name
2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol
InChIKey
FRPHFZCDPYBUAU-UHFFFAOYSA-N
INCHI
1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3
SMILES isoméricas
CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br
WGK Alemanha
3
Peso molecular
698.01
Beilstein
372527
Reaxy-Rn
372527
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=372527&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseBenzofurans
SubclassBenzofuranones
Intermediate Tree Nodes Not available
Direct ParentBenzofuranones
Alternative Parents Phthalides  Benzoxathioles  O-bromophenols  Meta cresols  Toluenes  Bromobenzenes  Organosulfonic acid esters  Aryl bromides  Oxacyclic compounds  Organooxygen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzofuranone - Phthalide - Benzoxathiole - 2-halophenol - M-cresol - 2-bromophenol - 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
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 Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
SLCO2A1 Tchem Solute carrier organic anion transporter family member 2A1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Alvos associados (não humanos)
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slc22a6 Solute carrier family 22 member 6 (141 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.

4 results found

Lot NumberCertificate TypeDataItem
L1826091Certificate of AnalysisAug 26, 2026 B196442
B2214050Certificate of AnalysisDec 16, 2025 B196442
I2009009Certificate of AnalysisJun 05, 2025 B196442
B2327020Certificate of AnalysisFeb 28, 2023 B196442
Propriedades químicas e físicas
Ponto de fusão (°C)225°C
Peso molecular698.000 g/mol
XLogP36.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass697.725 Da
Monoisotopic Mass693.73 Da
Topological Polar Surface Area92.200 Ų
Heavy Atom Count31
Formal Charge0
Complexity742.000
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

Avaliações dos Clientes

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