CAS Number288-14-2
SynonymsEINECS 206-018-7; 1-Oxa-2-azacyclopentadiene; Isoxazole; Isoxazoles; 1,2-Oxazole; Isooxazole; MFCD00003149; Isoxazol; isoxazole acid
Molecular FormulaC3H3NO
Molecular Weight69.06
Purity99%
Density1.1±0.1 g/cm3
Boiling Point93-95 °C (lit.)
Appearanceliquid
EINECS206-018-7
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 288-14-2 |
| Catalog No. | 2A-9021115 |
| Chinese Name | 异恶唑 |
| Synonyms | EINECS 206-018-7; 1-Oxa-2-azacyclopentadiene; Isoxazole; Isoxazoles; 1,2-Oxazole; Isooxazole; MFCD00003149; Isoxazol; isoxazole acid |
| Molecular Formula | C3H3NO |
| Molecular Weight | 69.06 |
| Purity | 99 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 93-95 °C (lit.) |
| Appearance | liquid |
| Storage Condition | Store at RT. |
| Packaging | II |
| Application | Isoxazole is a pharmaceutical scaffold that can be used to develop new drugs with multiple biological activities (such as antimicrobial, antiviral, anticancer, anti-inflammatory, immunomodulatory, ant |
| EINECS | 206-018-7 |
| HTC | 29349990 |
| PubChem ID | 24849154 |
| MDL Number | MFCD00003149 |
| SMILES | c1cnoc1 |
| InChI | 1S/C3H3NO/c1-2-4-5-3-1/h1-3H |
| InChI Key | CTAPFRYPJLPFDF-UHFFFAOYSA-N |
| Beilstein/REAXYS | 103773 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 3 |
| MSDS | msds/21115_1_288_14_2.pdf |
| Bioactivity | 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]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Zhu J, et al. The recent progress of isoxazole in medicinal chemistry. Bioorg Med Chem. 2018 Jul 23;26(12):3065-3075. [2]. Sysak A, et al. Isoxazole ring as a useful scaffold in a search for new therapeutic agents. Eur J Med Chem. 2017 Sep 8;137:292-309. Chemical & Physical Properties 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. |
| Use of | 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]. Properties Name isoxazole Synonym More Synonyms Isoxazole Biological Activity 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]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Zhu J, et al. The recent progress of isoxazole in medicinal chemistry. Bioorg Med Chem. 2018 Jul 23;26(12):3065-3075. [2]. Sysak A, et al. Isoxazole ring as a useful scaffold in a search for new therapeutic agents. Eur J Med Chem. 2017 Sep 8;137:292-309. Chemical & Physical Properties Molecular Formula C3H3NO Exact Mass 69.021461 PSA 26.03000 Vapour density 2.4 (vs air) Index of Refraction 1.422 InChIKey CTAPFRYPJLPFDF-UHFFFAOYSA-N Storage condition Store at RT. |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: 1993 International Maritime Transport Dangerous Regulations: 1993 International Air Transport Dangerous Regulations: 1993 14.2 United Nations shipping name European Land Transport Dangerous Regulations: FLAMMABLE LIQUID, N.O.S. (Isoxazole) IMDG Code: FLAMMABLE LIQUID, N.O.S. (Isoxazole) International air transport hazard regulations: Flammable liquid, n.o.s. (Isoxazole) 14.3 Transport hazard categories European land transport Dangerous Regulations: 3 International sea transport Dangerous Regulations: 3 International air transport Dangerous Regulations: 3 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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