CAS No.21166-30-3,2-(4-BROMO-PHENYL)-THIAZOLE-4-CARBALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21166-30-3
Name:	2-(4-BROMO-PHENYL)-THIAZOLE-4-CARBALDEHYDE
Article Data:	3

Formula:	C₁₀H₆BrNOS
Molecular Weight:	268.134
Synonyms:	4-Thiazolecarboxaldehyde,2-(p-bromophenyl)- (8CI);
Density:	1.622 g/cm³
Boiling Point:	394.4 °C at 760 mmHg
Flash Point:	192.3 °C
PSA:	58.20000
LogP:	3.38510

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Specification

The 4-Thiazolecarboxaldehyde,2-(4-bromophenyl)-, with CAS registry number 21166-30-3, belongs to the following product category: Thiazole. It has the systematic name of 2-(4-bromophenyl)thiazole-4-carbaldehyde. And the chemical formula of this chemical is C₁₀H₆BrNOS.

Physical properties of 4-Thiazolecarboxaldehyde,2-(4-bromophenyl)-: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.6; (4)ACD/LogD (pH 7.4): 3.6; (5)ACD/BCF (pH 5.5): 321.63; (6)ACD/BCF (pH 7.4): 321.63; (7)ACD/KOC (pH 5.5): 2169.55; (8)ACD/KOC (pH 7.4): 2169.55; (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: 1.67; (14)Molar Refractivity: 61.76 cm³; (15)Molar Volume: 165.2 cm³; (16)Polarizability: 24.48×10^-24cm³; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.622 g/cm³; (19)Flash Point: 192.3 °C; (20)Enthalpy of Vaporization: 64.44 kJ/mol; (21)Boiling Point: 394.4 °C at 760 mmHg; (22)Vapour Pressure: 1.98E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1c2nc(cs2)C=O)Br
(2)InChI: InChI=1/C10H6BrNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H
(3)InChIKey: KOMFNSXHHNSAFR-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H6BrNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-6H
(5)Std. InChIKey: KOMFNSXHHNSAFR-UHFFFAOYSA-N