Isoxazole
Isoxazole structure
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Common Name | Isoxazole | ||
|---|---|---|---|---|
| CAS Number | 288-14-2 | Molecular Weight | 69.062 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 95.5±9.0 °C at 760 mmHg | |
| Molecular Formula | C3H3NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 8.9±0.0 °C | |
Use of IsoxazoleIsoxazole is a drug scaffold that can be used to develop new drugs with various biological activities (e.g. anti-microbial, anti-viral, anti-cancer, anti-inflammatory, immunomodulatory, anti-convulsant or anti-diabetic properties)[1][2]. |
Summary: Isoxazole (Chinese name: 异恶唑，CAS number: 288-14-2), molecular formula: C3H3NO, molecular weight: 69.062, is a colorless liquid with a boiling point of 95.5±9.0 °C and a density of 1.1±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 | isoxazole |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Isoxazole is a drug scaffold that can be used to develop new drugs with various biological activities (e.g. anti-microbial, anti-viral, anti-cancer, anti-inflammatory, immunomodulatory, anti-convulsant or anti-diabetic properties)[1][2]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 95.5±9.0 °C at 760 mmHg |
| Molecular Formula | C3H3NO |
| Molecular Weight | 69.062 |
| Flash Point | 8.9±0.0 °C |
| Exact Mass | 69.021461 |
| PSA | 26.03000 |
| LogP | 0.08 |
| Vapour density | 2.4 (vs air) |
| Vapour Pressure | 51.7±0.2 mmHg at 25°C |
| Index of Refraction | 1.422 |
| InChIKey | CTAPFRYPJLPFDF-UHFFFAOYSA-N |
| SMILES | c1cnoc1 |
| Storage condition | Store at RT. |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | F:Flammable; |
|---|---|
| Risk Phrases | R11 |
| Safety Phrases | S16-S23/33 |
| RIDADR | UN 1993 3/PG 2 |
| WGK Germany | 3 |
| Packaging Group | II |
| Hazard Class | 3 |
| HS Code | 29349990 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 10 | |
![2,2'-methylenebis[1,3-dioxolane] Structure](https://image.chemsrc.com/caspic/381/4405-17-8.png)
CAS#:4405-17-8
CAS#:122-31-6
CAS#:504-73-4
CAS#:84405-51-6
CAS#:74-86-2
CAS#:624-67-9
CAS#:86046-91-5
CAS#:5444-80-4
CAS#:3463-30-7
CAS#:463-51-4
CAS#:74-90-8
CAS#:97925-43-4
CAS#:847490-69-1
CAS#:201230-82-2
CAS#:107-13-1
CAS#:75-05-8
CAS#:107-12-0This 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: Specificity constant of the BSA-catalyzed deprotonation of compound at pH 9
Source: ChEMBL
Target: N/A
External Id: CHEMBL623554
|
|
Name: Dissociation constant, pKa of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL2173908
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 206-018-7 |
| 1-Oxa-2-azacyclopentadiene |
| Isoxazole |
| Isoxazoles |
| 1,2-Oxazole |
| Isooxazole |
| MFCD00003149 |
| Isoxazol |
| isoxazole acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of isoxazole? |
| A: Molecular formula of isoxazole is C3H3NO. |
| Q: What is the polar surface area (PSA) of isoxazole? |
| A: Polar surface area (PSA) of isoxazole is 26.03000. |
| Q: What English synonyms does isoxazole have? |
| A: English synonyms of isoxazole: EINECS 206-018-7, 1-Oxa-2-azacyclopentadiene, Isoxazole, Isoxazoles, 1,2-Oxazole, Isooxazole, MFCD00003149, Isoxazol, isoxazole acid. |
| Q: What are the downstream products of isoxazole? |
| A: Related downstream products(CAS) of isoxazole: 3463-30-7;463-51-4;74-90-8;97925-43-4;847490-69-1;201230-82-2;107-13-1;75-05-8;107-12-0;74-86-2. |
| Q: What is the safety information for isoxazole? |
| A: Safety information for isoxazole: S16-S23/33. |
| Q: What is the InChIKey of isoxazole? |
| A: InChIKey of isoxazole is CTAPFRYPJLPFDF-UHFFFAOYSA-N. |
| Q: What are the uses of isoxazole? |
| A: Main uses of isoxazole: Isoxazole is a drug scaffold that can be used to develop new drugs with various biological activities (e.g. anti-microbial, anti-viral, anti-cancer, anti-inflammatory, immunomodulatory, anti-convulsant or anti-diabetic properties)[1][2]. |
| Q: What is the SMILES notation of isoxazole? |
| A: SMILES notation of isoxazole is c1cnoc1. |
| Q: What is the molecular weight of isoxazole? |
| A: Molecular weight of isoxazole is 69.062. |
| Q: What is the LogP of isoxazole? |
| A: LogP of isoxazole is 0.08. |
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. |