Isothiazole
Isothiazole structure
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Common Name | Isothiazole | ||
|---|---|---|---|---|
| CAS Number | 288-16-4 | Molecular Weight | 85.128 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 20.0±13.0 °C at 760 mmHg | |
| Molecular Formula | C3H3NS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | -31.8±10.2 °C | |
Summary: isothiazole (Chinese name), molecular formula C3H3NS, molecular weight 85.128, CAS number 288-16-4. This compound has a boiling point of 20.0±13.0 °C and a density of 1.2±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | isothiazole |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 20.0±13.0 °C at 760 mmHg |
| Molecular Formula | C3H3NS |
| Molecular Weight | 85.128 |
| Flash Point | -31.8±10.2 °C |
| Exact Mass | 84.998619 |
| PSA | 41.13000 |
| LogP | 0.81 |
| Vapour Pressure | 908.0±0.0 mmHg at 25°C |
| Index of Refraction | 1.543 |
| InChIKey | ZLTPDFXIESTBQG-UHFFFAOYSA-N |
| SMILES | c1cnsc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Material Safety Data Sheet
Section1. Identification of the substance Product Name: Isothiazole Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:Isothiazole CAS number:288-16-4 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels, refrigerated. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula: C3H3NS Molecular weight: 85.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2934999090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~61%
Isothiazole CAS#:288-16-4 |
| Literature: Kang, Yong Koo; Lee, Kyung Seok; Yoo, Kyung Ho; Shin, Kye Jung; Kim, Dong Chan; Lee, Chang-Seok; Kong, Jae Yang; Kim, Dong Jin Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 3 p. 463 - 466 |
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~%
Isothiazole CAS#:288-16-4 |
| Literature: Adams; Slack Journal of the Chemical Society, 1959 , p. 3061,3065 |
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Isothiazole CAS#:288-16-4 |
| Literature: Sykes,P.; Ullah,H. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1972 , p. 2305 - 2315 |
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Isothiazole CAS#:288-16-4
Learn More
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| Literature: Parkanyi, Cyril; Vernin, Gaston; Zamkostian, Rose-Marie; Metzger, Jacques Heterocycles, 1984 , vol. 22, # 5 p. 1077 - 1089 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 10 | |
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CAS#:53750-02-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Dissociation constant, pKa of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL2173908
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Isothiazole |
| 1,2-Thiazole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of isothiazole? |
| A: InChIKey of isothiazole is ZLTPDFXIESTBQG-UHFFFAOYSA-N. |
| Q: What is the CAS number of isothiazole? |
| A: CAS number of isothiazole is 288-16-4. |
| Q: What is the polar surface area (PSA) of isothiazole? |
| A: Polar surface area (PSA) of isothiazole is 41.13000. |
| Q: What English synonyms does isothiazole have? |
| A: English synonyms of isothiazole: Isothiazole, 1,2-Thiazole. |
| Q: What are the upstream materials of isothiazole? |
| A: Related upstream materials(CAS) of isothiazole: 6645-63-2;64527-28-2;107-19-7;3034-53-5. |
| Q: What is the SMILES notation of isothiazole? |
| A: SMILES notation of isothiazole is c1cnsc1. |
| Q: What is the LogP of isothiazole? |
| A: LogP of isothiazole is 0.81. |
| Q: What is the boiling point of isothiazole? |
| A: Boiling point of isothiazole is 20.0±13.0 °C at 760 mmHg. |
| Q: What is the English name of isothiazole? |
| A: The English name of isothiazole is isothiazole. |
| Q: What is the molecular formula of isothiazole? |
| A: Molecular formula of isothiazole is C3H3NS. |
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. |
| Henan Tianfu Chemical Co., Ltd. |