ISOXAZOLE-3-CARBONITRILE
- Product Name
- ISOXAZOLE-3-CARBONITRILE
- CAS No.
- 68776-57-8
- Chemical Name
- ISOXAZOLE-3-CARBONITRILE
- Synonyms
- Cyano-isoxazole;3-cyanoisoxazole;3-Isoxazolecarbonitrile;ISOXAZOLE-3-CARBONITRILE;1,2-oxazole-3-carbonitrile;3-Isoxazolecarbonitrile(6CI,7CI,9CI)
- CBNumber
- CB61011315
- Molecular Formula
- C4H2N2O
- Formula Weight
- 94.07
- MOL File
- 68776-57-8.mol
ISOXAZOLE-3-CARBONITRILE Property
- Boiling point:
- 70 °C(Press: 25 Torr)
- Density
- 1.25±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Store in freezer, under -20°C
- pka
- -7.18±0.50(Predicted)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- I918463
- Product name
- Isoxazole-3-carbonitrile
- Packaging
- 5mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- 0622AC
- Product name
- Isoxazole-3-carbonitrile
- Packaging
- 1g
- Price
- $429
- Updated
- 2021/12/16
- Product number
- CHM0384651
- Product name
- ISOXAZOLE-3-CARBONITRILE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $500.78
- Updated
- 2021/12/16
- Product number
- C13147
- Product name
- 3-Cyanoisoxazole
- Purity
- 95%
- Packaging
- 1g
- Price
- $160
- Updated
- 2021/12/16
- Product number
- 094818
- Product name
- Isoxazole-3-carbonitrile
- Purity
- 95+%
- Packaging
- 1g
- Price
- $665
- Updated
- 2021/12/16
ISOXAZOLE-3-CARBONITRILE Chemical Properties,Usage,Production
Synthesis
1201794-84-4
68776-57-8
6.3 Preparation of Isoxazole-3-carbonitrile: To a dry 10L three-necked flask fitted with a thermometer, mechanical stirrer and dropping funnel under nitrogen protection were added 52000 g (18.6 mL) of dichloromethane and 289.8 g (1.04 mol, purity determined to be 64.5 wt%) of 5-ethoxy-4,5-dihydroisoxazole-3-carbonitrile. The reaction mixture was cooled to 0-5 °C and then 173.8 g (0.6 mol) diazabicyclo[5.4.0]undecene was slowly added dropwise at the same temperature for a controlled time of 20-30 min. After the dropwise addition, the reaction mixture was continued to be stirred at 0-5 °C for 2-3 hours until HPLC showed that the reaction was complete. Subsequently, the reaction mixture was neutralized with 1000.0 g (3.45 L) of 0.1 N hydrochloric acid to pH 6.5-7.0 at 0-5 °C. The neutralized mixture was extracted twice with 1170 g (4.0 L) of methyl tert-butyl ether. After separation of the organic layers, the organic phases were combined and dried over 116 g (0.44 mol) of anhydrous sodium sulfate, filtered and concentrated in vacuum to give the crude isoxazole-3-carbonitrile (544.6 g, purity determined to be 21.99 wt%, the actual product 119.8 g, yield 62%). The crude product was purified by reduced pressure distillation (40 ℃/5mmHg) to give 97.3g of colorless oil (99% purity, 50% yield). The structure of the product was analyzed by 1H NMR (CDCl3, 400 MHz) δ 8.64 (d, J=1.6 Hz, 1H), 6.70 (d, J=1.6 Hz, 1H); 13C NMR (CDCl3, 100 MHz) δ 160.92, 139.19, 109.95, 107.40; Elemental analysis results: measured value: C, 50.02; N, 27.74; H Calculated value (C4H2N2O): C, 51.07; N, 29.78; H, 2.14.
References
[1] Patent: US2009/318516, 2009, A1. Location in patent: Page/Page column 5
[2] Patent: US2009/318705, 2009, A1. Location in patent: Page/Page column 5-6
ISOXAZOLE-3-CARBONITRILE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from ISOXAZOLE-3-CARBONITRILE manufacturers
- Product
- ISOXAZOLE-3-CARBONITRILE 68776-57-8
- Price
- US $0.01/KG
- Min. Order
- 1KG
- Purity
- 98%;99%
- Supply Ability
- 1kg； 5kg；10kg；25kg
- Release date
- 2020-01-07