4-Thiazolecarboxaldehyde,2-(3-bromophenyl)- supplier

Name
2-(3-BROMO-PHENYL)-THIAZOLE-4-CARBALDEHYDE
EINECS 604-604-1
CAS No. 750624-69-2
Density 1.622 g/cm³
Solubility
Melting Point
Formula C₁₀H₆BrNOS
Boiling Point 407.455 °C at 760 mmHg
Molecular Weight 268.13
Flash Point 200.222 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(3-bromophenyl)-1,3-thiazole-4-carbaldehyde;
PSA 58.20000
LogP 3.38510

4-Thiazolecarboxaldehyde,2-(3-bromophenyl)- Specification

The 4-Thiazolecarboxaldehyde,2-(3-bromophenyl)- with CAS registry number of 750624-69-2 is also called 2-(3-bromophenyl)-1,3-thiazole-4-carbaldehyde. Its molecular formula is C₁₀H₆BrNOS, and molecular weight is 268.13. Its IUPAC name is 2-(3-bromophenyl)-1,3-thiazole-4-carbaldehyde.

Physical properties about this chemical are: (1) ACD/LogP: 3.36; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.361; (4) ACD/LogD (pH 7.4): 3.361; (5) ACD/BCF (pH 5.5): 211.131; (6) ACD/BCF (pH 7.4): 211.132; (7) ACD/KOC (pH 5.5): 1605.172; (8) ACD/KOC (pH 7.4): 1605.176; (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: 61.763 cm³; (15) Molar Volume: 165.272 cm³; (16) Polarizability: 24.485×10^-24 cm³; (17) Surface Tension: 56.687 dyne/cm; (18) Density: 1.622 g/cm³; (19) Flash Point: 200.222 °C; (20) Enthalpy of Vaporization: 65.934 kJ/mol; (21) Boiling Point: 407.455 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(cc(c1)Br)c2nc(cs2)C=O;
(2) InChI: InChI=1/C10H6BrNOS/c11-8-3-1-2-7(4-8)10-12-9(5-13)6-14-10/h1-6H;
(3) InChIKey: YNXSRZKASQSOPO-UHFFFAOYAE;
(4) Std. InChI: InChI=1S/C10H6BrNOS/c11-8-3-1-2-7(4-8)10-12-9(5-13)6-14-10/h1-6H;
(5) Std. InChIKey: YNXSRZKASQSOPO-UHFFFAOYSA-N

Product Name

2-(3-BROMO-PHENYL)-THIAZOLE-4-CARBALDEHYDE

4-Thiazolecarboxaldehyde,2-(3-bromophenyl)- Specification

Related Products

Hot Products