5-Thiazolecarboxaldehyde,4-chloro-2-(4-morpholinyl)- supplier

Name
4-CHLORO-2-(4-MORPHOLINO)-5-THIAZOLECARBOXALDEHYDE
EINECS 604-604-1
CAS No. 129880-84-8
Article Data8
CAS DataBase
Density 1.462g/cm³
Solubility
Melting Point
Formula C₈H₉ClN₂O₂S
Boiling Point 391.5 °C at 760 mmHg
Molecular Weight 232.691
Flash Point 190.6 °C
Transport Information
Appearance
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
PSA 70.67000
LogP 1.51060

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

Product Name

4-CHLORO-2-(4-MORPHOLINO)-5-THIAZOLECARBOXALDEHYDE

5-Thiazolecarboxaldehyde,4-chloro-2-(4-morpholinyl)- Specification

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