Thymol blue
Thymol blue structure
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Common Name | Thymol blue | ||
|---|---|---|---|---|
| CAS Number | 76-61-9 | Molecular Weight | 466.589 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 580.5±50.0 °C at 760 mmHg | |
| Molecular Formula | C27H30O5S | Melting Point | 221 °C | |
| MSDS | Chinese USA | Flash Point | 304.9±30.1 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Thymol Blue |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 580.5±50.0 °C at 760 mmHg |
| Melting Point | 221 °C |
| Molecular Formula | C27H30O5S |
| Molecular Weight | 466.589 |
| Flash Point | 304.9±30.1 °C |
| Exact Mass | 466.181396 |
| PSA | 92.21000 |
| LogP | 6.62 |
| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
| Index of Refraction | 1.611 |
| InChIKey | PRZSXZWFJHEZBJ-UHFFFAOYSA-N |
| SMILES | Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OS(=O)(=O)c2ccccc21 |
| Storage condition | Store at RT. |
| Stability | Stable. Combustible. Dust may form an explosive mixture with air. Incompatible with strong oxidizing agents. |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xn |
| Risk Phrases | 10 |
| Safety Phrases | S24/25 |
| RIDADR | UN 1170 3/PG 3 |
| RTECS | XP2575000 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 2 | |
CAS#:89-83-8
CAS#:81-08-3
CAS#:861304-71-4
CAS#:5435-44-9
CAS#:76-59-5
CAS#:62625-21-2This table lists relevant public references with title, journal and publication metadata for this compound.
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On-chip cavity-enhanced absorption spectroscopy using a white light-emitting diode and polymer mirrors.
Lab Chip 15(3) , 711-7, (2015) We have developed a disposable microfluidic chip with integrated cavity mirrors comprised of two pieces of 3M Vikuiti™ enhanced specular reflector II (ESRII) film, for performing cavity-enhanced absor... |
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Experimental correlation between the pKa value of sulfonphthaleins with the nature of the substituents groups.
Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 69(4) , 1235-45, (2008) This work presents the results obtained from a spectrophotometry study performed on some indicators of the sulfonphtaleins like phenol red (PR), thymol blue (TB), bromothymol blue (BTB), xylenol orang... |
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Measurement of the association of cholephylic organic anions with different binding proteins.
Biochem. Pharmacol. 34(14) , 2439-44, (1985) The binding of the colored cholephylic anions tetrabromosulfonphthalein (BSP), di-bromosulfonphthalein (DBSP), indocyanine green (ICG) and thymol blue (ThB) to a number of protein preparations includi... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of 8-((4-chlorophenyl)amino)naphthalene-1-sulfonic acid binding to CDK2 (u...
Source: ChEMBL
Target: Cyclin-dependent kinase 2
External Id: CHEMBL5381439
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: Selectivity index, ratio of IC50 for inhibition of 8-((4-chlorophenyl)amino)naphthale...
Source: ChEMBL
Target: Cyclin-dependent kinase 2
External Id: CHEMBL5381447
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| a-Hydroxy-a,a-bis(5-hydroxycarvacryl)-o-toluenesulfonic Acid g-Sultone |
| s-dioxide |
| S NO 879 |
| Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, S,S-dioxide |
| MFCD00005869 |
| 3,3'-di-iso-propyl-6,6'-dimethylphenolsulphonephthalein |
| 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)phenol] S,S-Dioxide |
| 4,4'-(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-isopropyl-5-methylphenol) |
| EINECS 200-973-3 |
| bleudethymol |
| 3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide |
| Thymol Blue,ACS |
| Thymolsulfonephalein |
| THYMOL BLUE TS |
| Thymolsulfophthalein |
| 3,3'-diisopropyl-6-6'-dimethylphenolsulfonephthalein |
| 2,2'-dimethyl-5,5'-diisopropylphenolsulfophthalein |
| 4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[5-methyl-2-(propan-2-yl)phenol] |
| 5-19-03-00462 (Beilstein Handbook Reference) |
| Thymolsulfonephthalein |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for Thymol Blue? |
| A: Safety information for Thymol Blue: S24/25. |
| Q: What are the downstream products of Thymol Blue? |
| A: Related downstream products(CAS) of Thymol Blue: 76-59-5;62625-21-2. |
| Q: What are the storage conditions for Thymol Blue? |
| A: Storage conditions for Thymol Blue: Store at RT. |
| Q: What is the molecular formula of Thymol Blue? |
| A: Molecular formula of Thymol Blue is C27H30O5S. |
| Q: What are the upstream materials of Thymol Blue? |
| A: Related upstream materials(CAS) of Thymol Blue: 89-83-8;81-08-3;861304-71-4;5435-44-9. |
| Q: What is the SMILES notation of Thymol Blue? |
| A: SMILES notation of Thymol Blue is Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OS(=O)(=O)c2ccccc21. |
| Q: What is the InChIKey of Thymol Blue? |
| A: InChIKey of Thymol Blue is PRZSXZWFJHEZBJ-UHFFFAOYSA-N. |
| Q: What is the melting point of Thymol Blue? |
| A: Melting point of Thymol Blue is 221 °C. |
| Q: What is the polar surface area (PSA) of Thymol Blue? |
| A: Polar surface area (PSA) of Thymol Blue is 92.21000. |
| Q: What is the LogP of Thymol Blue? |
| A: LogP of Thymol Blue is 6.62. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |