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| CAS No.: | 59129-52-1 |
|---|---|
| Name: | 5-CHLORO-2-THIAZOLECARBOXALDEHYDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C4H2ClNOS |
| Molecular Weight: | 147.58 |
| Synonyms: | 5-Chlorothiazole-2-carbaldehyde;5-Chloro-1,3-thiazole-2-carboxaldehyde; |
| Density: | 1.541 g/cm3 |
| Boiling Point: | 261.8 °C at 760 mmHg |
| Flash Point: | 112.1 °C |
| PSA: | 58.20000 |
| LogP: | 1.60900 |
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Specification
The 2-Thiazolecarboxaldehyde,5-chloro- is an organic compound with the formula C4H2ClNOS. The systematic name of this chemical is 5-Chlorothiazole-2-carbaldehyde. With the CAS registry number 59129-52-1, it is also named as 5-Chloro-1,3-thiazole-2-carboxaldehyde. The categories of the product are Building Blocks and Thiazole. Besides, its molecular weight is 147.58.
The physical properties of 2-Thiazolecarboxaldehyde,5-chloro- are: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): 1.1; (3)ACD/LogD (pH 7.4): 1.1; (4)#H bond acceptors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 58.2 Å2; (7)Index of Refraction: 1.637; (8)Molar Refractivity: 34.37 cm3; (9)Molar Volume: 95.7 cm3; (10)Polarizability: 13.62×10-24 cm3; (11)Surface Tension: 59.1 dyne/cm; (12)Density: 1.541 g/cm3; (13)Flash Point: 112.1 °C; (14)Enthalpy of Vaporization: 47.94 kJ/mol; (15)Boiling Point: 261.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0184 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(sc(n1)C=O)Cl
(2)InChI: InChI=1/C4H2ClNOS/c5-3-1-6-4(2-7)8-3/h1-2H
(3)InChIKey: ROLHZJVHOWFADC-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C4H2ClNOS/c5-3-1-6-4(2-7)8-3/h1-2H
(5)Std. InChIKey: ROLHZJVHOWFADC-UHFFFAOYSA-N