Products Categories
| CAS No.: | 62348-13-4 |
|---|---|
| Name: | ISOXAZOLE-5-CARBONYL CHLORIDE |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H2ClNO2 |
| Molecular Weight: | 131.518 |
| Synonyms: | 5-Isoxazolecarboxylicacid chloride;5-Isoxazolylcarbonyl chloride;Isoxazole-5-carbonyl chloride; |
| EINECS: | -0 |
| Density: | 1.432 g/cm3 |
| Boiling Point: | 213.213 °C at 760 mmHg |
| Flash Point: | 82.749 °C |
| Solubility: | react with water |
| Appearance: | irritating colorless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 |
| PSA: | 43.10000 |
| LogP: | 1.05360 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- Total:23 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
This chemical is called 5-Isoxazolecarbonylchloride, and its systematic name is isoxazole-5-carbonyl chloride. With the molecular formula of C4H2ClNO2, its product categories are Acidhalide; Building Blocks; Heterocyclic Building Blocks; Isoxazoles. The CAS registry number of this chemical is 62348-13-4. In addition, this chemical should be sealed in the cool and dry place, away from oxide and water.
Physical properties about the 5-Isoxazolecarbonylchloride are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 14.278; (4)ACD/KOC (pH 7.4): 14.278; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 43.1 Å2; (9)Index of Refraction: 1.497; (10)Molar Refractivity: 26.888 cm3; (11)Molar Volume: 91.86 cm3; (12)Polarizability: 10.659×10-24cm3; (13)Surface Tension: 46.008 dyne/cm; (14)Density: 1.432 g/cm3; (15)Flash Point: 82.749 °C; (16)Enthalpy of Vaporization: 44.953 kJ/mol; (17)Boiling Point: 213.213 °C at 760 mmHg; (18)Vapour Pressure: 0.166 mmHg at 25°C.
Production method of this chemical are: The 5-Isoxazolecarbonylchloride could be obtained by the reactant of 5-Trichloromethylisoxazole. This reaction needs the reagent of SbCl5, trichloroacetic acid. The yield is 77 %. In addition, this reaction should be taken for 5 hours at the temperature of 120 °C.
Uses of this chemical: The 5-Isoxazolecarbonylchloride could react with N-{3-[3-fluoro-4-(piperidin-4-yloxy)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide; compound with trifluoro-acetic acid, and obtain the N-(3-{3-fluoro-4-[1-(isoxazole-5-carbonyl)-piperidin-4-yloxy]-phenyl}-2-oxo-oxazolidin-5-ylmethyl)-acetamide. This reaction needs the reagent of Et3N, and the solvent of CH2Cl2. The yield is 65 %. In addition, this reaction should be taken for 18 hours.
.jpg)
.jpg)
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: c1cnoc1C(=O)Cl
2.InChI: InChI=1/C4H2ClNO2/c5-4(7)3-1-2-6-8-3/h1-2H
3.InChIKey: NASLINFISOTVJJ-UHFFFAOYAT
4.Std. InChI: InChI=1S/C4H2ClNO2/c5-4(7)3-1-2-6-8-3/h1-2H