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Cas Database |
| Name |
4-Thiazolecarbonitrile |
EINECS | 215-919-4 |
| CAS No. | 1452-15-9 | Density | 1.33 g/cm3 |
| PSA | 64.92000 | LogP | 1.01478 |
| Solubility | N/A | Melting Point |
60-61℃ |
| Formula | C4H2N2S | Boiling Point | 235.3 °C at 760 mmHg |
| Molecular Weight | 110.139 | Flash Point | 96.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 16-26-36 | Risk Codes | 10-20/21/22 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Cyanothiazole; |
Article Data | 25 |
4-Thiazolecarbonitrile Synthetic route
| Conditions | Yield |
|---|---|
| With hydroxylamine hydrochloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In ethyl acetate; N,N-dimethyl-formamide at 100℃; | 95% |
| Conditions | Yield |
|---|---|
| With C12H10N(1-)*CH3O3S(1-)*Pd(2+)*C39H32OP2 In tetrahydrofuran; water at 65℃; for 4h; Micellar solution; | 93% |
| With [(2-di-tert-butylphosphino-2′,4′,6′-triisopropyl-1, 1′-biphenyl)-2-(2′-amino-1,1′-biphenyl)] palladium(II) methanesulfonate In tetrahydrofuran; water at 40℃; for 18h; Inert atmosphere; | 78% |
- 34259-99-9
4-bromo-1,3-thiazole
- 1452-15-9
thiazole-4-carbonitrile
| Conditions | Yield |
|---|---|
| With C42H58NO3PPdS(2-); potassium acetate; tert-butyl XPhos In 1,4-dioxane; water at 100℃; for 1h; Inert atmosphere; Sealed tube; | 89% |
| Conditions | Yield |
|---|---|
| at 325℃; for 1h; Temperature; | 85% |
| With triethylamine; trifluoroacetic anhydride In tetrahydrofuran at 0 - 20℃; for 2h; | 55.2% |
| With phosphorus pentoxide at 200℃; |
| Conditions | Yield |
|---|---|
| Stage #1: Thiazole-4-carboxylic acid With 2-(1H-9-azabenzotriazol-1-yl)-1,1,3,3-tetramethyluroniumhexafluorophosphate; ammonium chloride Stage #2: With triethylamine; trifluoroacetic anhydride at 0 - 20℃; for 6h; | 83% |
| Conditions | Yield |
|---|---|
| (i) Et3N, POCl3, CH2Cl2, (ii) /BRN= 1737704/, EtOH; Multistep reaction; |
| Conditions | Yield |
|---|---|
| With p-toluenesulfonic acid monohydrate In acetone |
| Conditions | Yield |
|---|---|
| Stage #1: 4-bromo-1,3-thiazole With C41H57P In toluene at 20℃; for 0.5h; Stage #2: [11C]hydrogen cyanide In tetrahydrofuran at 100℃; for 0.0166667h; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; ethylenediaminetetraacetic acid In water | 92.7% |
- 1452-15-9
thiazole-4-carbonitrile
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| Conditions | Yield |
|---|---|
| With hydrogenchloride; ethylenediaminetetraacetic acid In methanol; water | 91.7% |
| With hydrogenchloride; ethylenediaminetetraacetic acid In water |
4-Thiazolecarbonitrile Specification
The 4-Thiazolecarbonitrile, with the CAS registry number 1452-15-9, is also known as 4-Cyanothiazole. Its EINECS registry number is 215-919-4. This chemical's molecular formula is C4H2N2S and molecular weight is 110.13708. Its IUPAC name is called 1,3-thiazole-4-carbonitrile.
Physical properties of 4-Thiazolecarbonitrile: (1)ACD/LogP: -0.12; (2)ACD/LogD (pH 5.5): -0.12; (3)ACD/LogD (pH 7.4): -0.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.41; (7)ACD/KOC (pH 7.4): 20.41; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.574; (10)Molar Refractivity: 27.26 cm3; (11)Molar Volume: 82.5 cm3; (12)Surface Tension: 63.8 dyne/cm; (13)Density: 1.33 g/cm3; (14)Flash Point: 96.1 °C; (15)Enthalpy of Vaporization: 47.21 kJ/mol; (16)Boiling Point: 235.3 °C at 760 mmHg; (17)Vapour Pressure: 0.0505 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and is harmful by inhalation, in contact with skin and if swallowed. You should keep it away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(N=CS1)C#N
(2)InChI: InChI=1S/C4H2N2S/c5-1-4-2-7-3-6-4/h2-3H
(3)InChIKey: PNAFRZGWUVQUKH-UHFFFAOYSA-N
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