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

CAS: 76-59-5 Cat. No.: B433768 分子式: C27H28Br2O5S 分子量: 624.38 Beilstein Registry Number: 373934 EC番号: 200-971-2
注文可能
グレード&純度 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
★
サイズ
USA
ドイツ (EU)*
価格
個数
5g
B433768-5g
1 在庫あり
—
$187.90
25g
B433768-25g
1 在庫あり
—
$474.90
Enter a quantity for the sizes you want to add.

仕様

同義語
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 もっと見る
仕様と純度
Ph.Eur., ACS, indicator
保管条件
Room temperature
入荷
Normal
等級
ACS, Ph.Eur., 指標
名前と識別子
パブケム・シド
カノニカル・スマイル
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
異性体SMILES
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ドイツ
3
RTECS
SJ7450000
分子量
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=

詳細データ

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
分類Benzofurans
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
説明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
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
FEN1 Tchem Flap endonuclease 1 (12055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
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 Type日付商品
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
化学的性質と物理的性質
融点(°C)200-202°C
分子量624.400 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
よくある質問と記事
Citations of This Product
ソリューション計算機
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