4-(2-Chlorophenyl)-2-thiazolecarboxaldehyde supplier

Name
4-(2-chlorophenyl)-2-thiazolecarboxaldehyde
EINECS
CAS No. 383142-61-8
Article Data1
CAS DataBase
Density 1.389 g/cm³
Solubility
Melting Point
Formula C₁₀H₆ClNOS
Boiling Point 373.999 °C at 760 mmHg
Molecular Weight 223.683
Flash Point 179.989 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(2-Chloro-phenyl)-thiazole-2-carbaldehyde;
PSA 58.20000
LogP 3.27600

4-(2-Chlorophenyl)-2-thiazolecarboxaldehyde Specification

The 4-(2-Chlorophenyl)-2-thiazolecarboxaldehyde, with the CAS registry number 383142-61-8, is also known as 4-(2-Chloro-phenyl)-thiazole-2-carbaldehyde. This chemical's molecular formula is C₁₀H₆ClNOS and molecular weight is 223.68. What's more, its systematic name is 4-(2-Chlorophenyl)-1,3-thiazole-2-carbaldehyde.

Physical properties of 4-(2-Chlorophenyl)-2-thiazolecarboxaldehyde are: (1)ACD/LogP: 3.063; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 125.18; (6)ACD/BCF (pH 7.4): 125.18; (7)ACD/KOC (pH 5.5): 1104.15; (8)ACD/KOC (pH 7.4): 1104.16; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.2 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 58.968 cm³; (15)Molar Volume: 161.038 cm³; (16)Polarizability: 23.377×10^-24cm³; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.389 g/cm³; (19)Flash Point: 179.989 °C; (20)Enthalpy of Vaporization: 59.695 kJ/mol; (21)Boiling Point: 373.999 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c2ccc(c1nc(sc1)N)cc2)C
(2)Std. InChI: InChI=1S/C10H10N2O2S2/c1-16(13,14)8-4-2-7(3-5-8)9-6-15-10(11)12-9/h2-6H,1H3,(H2,11,12)
(3)Std. InChIKey: VQEMDSRIOVZAOM-UHFFFAOYSA-N

Product Name

4-(2-chlorophenyl)-2-thiazolecarboxaldehyde

4-(2-Chlorophenyl)-2-thiazolecarboxaldehyde Specification

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