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| CAS No.: | 693-95-8 |
|---|---|
| Name: | 4-Methylthiazole |
| Molecular Structure: | |
|
|
|
| Formula: | C4H5NS |
| Molecular Weight: | 99.1564 |
| Synonyms: | 4-Methyl-1,3-thiazole;NSC 42976;Thiazole, 4-methyl-; |
| EINECS: | 211-764-1 |
| Density: | 1.121 g/cm3 |
| Melting Point: | 134 °C |
| Boiling Point: | 134.3 °C at 760 mmHg |
| Flash Point: | 37.3 °C |
| Appearance: | Clear colourless to slightly yellow liquid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 37.3°C |
| Safety: | 16-26-39 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 41.13000 |
| LogP: | 1.45150 |
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- 71825-51-92-methyl-2-(4-nitrophenyl)propanenitrile
- 20485-41-0
4-methylthiazole-5-carboxylic acid
- 693-95-8
4-Methylthiazole
| Conditions | Yield |
|---|---|
| With acetic acid In N,N-dimethyl-formamide at 105 - 110℃; for 8h; Reagent/catalyst; Temperature; Green chemistry; | 95% |
| With acetic acid; silver carbonate In dimethyl sulfoxide at 120℃; for 16h; | 100 %Spectr. |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; dihydrogen peroxide In water at 45℃; for 1.5h; Temperature; | 78% |
| With hydrogenchloride; dihydrogen peroxide |
| Conditions | Yield |
|---|---|
| Stage #1: 4-methylthiazol-2-ylamine With sulfuric acid; sodium nitrite In water at -15 - -10℃; for 4h; Stage #2: With sodium hypophosphite In water at -10 - -5℃; for 6h; Temperature; | 72% |
- 6407-34-7, 19885-74-6
methyl-1 ethylideneamine
- 693-95-8
4-Methylthiazole
| Conditions | Yield |
|---|---|
| With sulfur dioxide; soda-lime; zirconium(IV) oxide at 450℃; | 70% |
- 52558-99-3
4-methyl-3-thiazoline
- 693-95-8
4-Methylthiazole
| Conditions | Yield |
|---|---|
| With ethanol; iron(III) chloride |
- 32497-10-2
4-methyl-2(3H)-thiazolone
- 693-95-8
4-Methylthiazole
| Conditions | Yield |
|---|---|
| With zinc bei der Destillation; | |
| bei der Zinkstaub-Destillation; |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide |
- 14542-16-6
4-methyl-1,3-thiazole-2-carboxylic acid
- 693-95-8
4-Methylthiazole
- 26847-01-8
2-chloro-4-methyl-1,3-thiazole
- 693-95-8
4-Methylthiazole
| Conditions | Yield |
|---|---|
| With acetic acid; zinc |
- 14397-08-1
2-hydrazinyl-4-methylthiazole hydrochloride
- 693-95-8
4-Methylthiazole
| Conditions | Yield |
|---|---|
| With water; mercury(II) oxide | |
| With hydrogenchloride; dihydrogen peroxide |
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Chemistry
Molecular Structure of 4-Methylthiazole (CAS NO.693-95-8):
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IUPAC Name: 4-Methyl-1,3-thiazole
Canonical SMILES: CC1=CSC=N1
InChI: InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
InChIKey: QMHIMXFNBOYPND-UHFFFAOYSA-N
Molecular Weight: 99.1542 [g/mol]
Molecular Formula: C4H5NS
XLogP3: 1
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 211-764-1
Index of Refraction: 1.535
Molar Refractivity: 27.55 cm3
Molar Volume: 88.4 cm3
Surface Tension: 39.9 dyne/cm
Density: 1.121 g/cm3
Flash Point: 37.3 °C
Enthalpy of Vaporization: 37.58 kJ/mol
Boiling Point: 134.3 °C at 760 mmHg
Vapour Pressure: 10 mmHg at 25 °C
Appearance: Clear colourless to slightly yellow liquid
storage temp.: Flammables area
Product Categories: Thiazoles; thiazole Flavor; Building Blocks; Heterocyclic Building Blocks; Alphabetical Listings; Flavors and Fragrances; M-N
Uses
4-Methylthiazole (CAS NO.693-95-8) is used as medicine, fragrance intermediates.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 360uL/kg (0.36mL/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: ATAXIA | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 182, 1992. |
Safety Profile
Safety Information of 4-Methylthiazole (CAS NO.693-95-8):
Hazard Codes: 
Xn,
Xi
Risk Statements: 10-22-37/38-41
R10:Flammable.
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
Safety Statements: 16-26-39
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: XJ5096000
TSCA: T
HazardClass: 3
PackingGroup: III
Specification
4-Methylthiazole (CAS NO.693-95-8), its Synonyms are Thiazole, 4-methyl- ; 4-Methyl thiazole ; 4-Methyl-1,3-thiazole .