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Cas Database |
| Name |
5-Thiazolecarboxaldehyde,4-chloro-2-(4-morpholinyl)- |
EINECS | 604-604-1 |
| CAS No. | 129880-84-8 | Density | 1.462g/cm3 |
| PSA | 70.67000 | LogP | 1.51060 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H9ClN2O2S | Boiling Point | 391.5 °C at 760 mmHg |
| Molecular Weight | 232.691 | Flash Point | 190.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 45 | Risk Codes | 25-22 |
| Molecular Structure |
|
Hazard Symbols | T,Xn |
| Synonyms |
4-CHLORO-2-MORPHOLINOTHIAZOLE-5-CARBALDEHYDE;4-CHLORO-2-MORPHOLIN-4-YL-THIAZOLE-5-CARBALDEHYDE;4-CHLORO-2-(4-MORPHOLINO)-5-THIAZOLECARBOXALDEHYDE;4-CHLORO-2-(4-MORPHOLINO)-THIAZOLE-5-CARBOXALDEHYDE;Zinc02507510;4-Chloro-2-(4-Morpholinyl)-5-thiazolecarboxaldehyde;4-Chloro-2-Morpholin-1ylthiazol-5-carbaldehyde;4-Chloro-2-morpholin-1yl-thiazole-5-carboxaldehyde |
Article Data | 8 |
5-Thiazolecarboxaldehyde,4-chloro-2-(4-morpholinyl)- Specification
The 5-Thiazolecarboxaldehyde,4-chloro-2-(4-morpholinyl)-, with CAS registry number 129880-84-8, has the systematic name of 4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde. Besides this, it is also called 4-Chloro-2-(4-morpholino)-5-thiazolecarboxaldehyde. And the chemical formula of this chemical is C8H9ClN2O2S.
Physical properties of 5-Thiazolecarboxaldehyde,4-chloro-2-(4-morpholinyl)-: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.31; (8)ACD/KOC (pH 7.4): 20.31; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 70.67 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 56.18 cm3; (15)Molar Volume: 159 cm3; (16)Polarizability: 22.27×10-24cm3; (17)Surface Tension: 61.6 dyne/cm; (18)Density: 1.462 g/cm3; (19)Flash Point: 190.6 °C; (20)Enthalpy of Vaporization: 64.12 kJ/mol; (21)Boiling Point: 391.5 °C at 760 mmHg; (22)Vapour Pressure: 2.45E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1sc(nc1Cl)N2CCOCC2
(2)InChI: InChI=1/C8H9ClN2O2S/c9-7-6(5-12)14-8(10-7)11-1-3-13-4-2-11/h5H,1-4H2
(3)InChIKey: PXXGEJVHSHQARO-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H9ClN2O2S/c9-7-6(5-12)14-8(10-7)11-1-3-13-4-2-11/h5H,1-4H2
(5)Std. InChIKey: PXXGEJVHSHQARO-UHFFFAOYSA-N
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