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CAS No.: | 3581-87-1 |
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Name: | 2-Methylthiazole |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C4H5NS |
Molecular Weight: | 99.1564 |
Synonyms: | 2-methyl-1,3-thiazole;2-Methoxy thiazole;2-Methyl thiazole; |
EINECS: | 222-702-8 |
Density: | 1.121 g/cm3 |
Melting Point: | -24 °C |
Boiling Point: | 128.5 °C at 760 mmHg |
Flash Point: | 28.9 °C |
Solubility: | Completely miscible in water |
Risk Codes: | 10-22 |
Safety: | 23-26-36/37/39 |
PSA: | 41.13000 |
LogP: | 1.45150 |
Conditions | Yield |
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bis-triphenylphosphine-palladium(II) chloride In benzene at 80℃; for 19h; | 94% |
Conditions | Yield |
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Stage #1: methyl iodide With magnesium In tetrahydrofuran at 10 - 30℃; for 2h; Inert atmosphere; Stage #2: 2-(methanesulfonyl)thiazole In tetrahydrofuran at 0 - 20℃; for 1h; Inert atmosphere; | 86% |
Conditions | Yield |
---|---|
bis-triphenylphosphine-palladium(II) chloride In benzene at 80℃; for 24h; | 84% |
Conditions | Yield |
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With sulfur at 100 - 110℃; |
2-methyl-2,5-dihydro-thiazole
2-methylthiazole
Conditions | Yield |
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With ethanol; iron(III) chloride |
Conditions | Yield |
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With ethanol |
Conditions | Yield |
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With acetic anhydride; benzene |
Conditions | Yield |
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(i) nBuLi, Et2O, (ii) /BRN= 635994/; Multistep reaction; |
2-methylthiazole
Conditions | Yield |
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With hydrogenchloride (electrolysis); |
Molecular Structure of 2-Methylthiazole (CAS NO.3581-87-1):
IUPAC Name: 2-Methyl-1,3-thiazole
Molecular Formula:C4H5NS
Molecular Weight:99.154200 g/mol
XLogP3-AA: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 1
Index of Refraction: 1.535
Molar Refractivity: 27.55 cm3
Molar Volume: 88.4 cm3
Surface Tension: 39.9 dyne/cm
Melting Point:-24 °C
Density:1.121 g/cm3
Flash Point:28.9 °C
Enthalpy of Vaporization:35.11 kJ/mol
Boiling Point:128.5 °C at 760 mmHg
Vapour Pressure:12.9 mmHg at 25 °C
Water Solubility:5689 mg/L at 25 °C
SMILES: n1ccsc1C
InChI: InChI=1/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3
InChIKey: VZWOXDYRBDIHMA-UHFFFAOYAX
EINECS: 222-702-8
Product Categories: Heterocyclic Compounds; Thiazoles
2-Methylthiazole (CAS NO.3581-87-1) is used as a food flavor.
Safety Information of 2-Methylthiazole (CAS NO.3581-87-1):
Risk Statements:10-22
10:Flammable
22:Harmful if swallowed
Safety Statements:23-26-36/37/39
23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
RIDADR:1993
2-Methylthiazole (CAS NO.3581-87-1), its Synonyms are : Thiazole, 2-methyl- ; 2-Methoxy thiazole .