Basic information
- Name:
Thiazole-5-carboxaldehyde
- CAS No.:
1003-32-3
- Molecular Structure:
- Formula:
- C4H3NOS
- Molecular Weight:
- 113.14
- Synonyms:
- 1,3-Thiazole-5-carboxaldehyde;5-Formylthiazole;
- Density:
- 1.35 g/cm3
- Boiling Point:
- 222.4 °C at 760 mmHg
- Flash Point:
- 88.3 °C
- Hazard Symbols:
Xi,
Xn- Risk Codes:
- 36/37/38-43-36-22
- Safety Description:
- 26-36/37/39-36/37 Details
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Specification
The Thiazole-5-carboxaldehyde with CAS registry number of 1003-32-3 is also known as 5-Formylthiazole. The IUPAC name is 1,3-Thiazole-5-carbaldehyde. It belongs to product categories of Aldehydes; Blocks; Thiazoles; Building Blocks; Heterocyclic Building Blocks; Thiazole. In addition, the formula is C4H3NOS and the molecular weight is 113.14. This chemical may cause inflammation to the skin or other mucous membranes and also may cause damage to health.
Physical properties about Thiazole-5-carboxaldehyde are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 11.521; (4)ACD/KOC (pH 7.4): 11.521; (5)#H bond acceptors: 2; (6)#Freely Rotating Bonds: 1; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 29.481 cm3; (9)Molar Volume: 83.803 cm3; (10)Surface Tension: 56.384 dyne/cm; (11)Density: 1.35 g/cm3; (12)Flash Point: 88.311 °C; (13)Enthalpy of Vaporization: 45.887 kJ/mol; (14)Boiling Point: 222.41 °C at 760 mmHg; (15)Vapour Pressure: 0.102 mmHg at 25 °C.
Preparation of Thiazole-5-carboxaldehyde: it is prepared by reaction of 2,4-dibromothiazole-5-carbaldehyde. The reaction needs reagents H2, NaOAc*3H2O, catalyst Pd/C and solvent methanol at the temperature of 23 °C for 12 hours. The yield is about 91%.
Uses of Thiazole-5-carboxaldehyde: it is used to produce thiazole-5-carbaldehyde oxime. The reaction occurs with reagents NH2OH*HCl, 20 percent aq. NaOH and solvent ethanol with other condition of heating for 40 minutes. The yield is about 85%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It is harmful if swallowed and may cause sensitisation by skin contact. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=C(SC=N1)C=O
2. InChI: InChI=1S/C4H3NOS/c6-2-4-1-5-3-7-4/h1-3H
3. InChIKey: ZXRLWHGLEJGMNO-UHFFFAOYSA-N