Benzaldehyde,3-(2-thiazolyl)- supplier

Name
3-(1,3-THIAZOL-2-YL)BENZALDEHYDE
EINECS 604-604-1
CAS No. 885465-97-4
Article Data2
CAS DataBase
Density 1.269 g/cm³
Solubility
Melting Point
Formula C₁₀H₇NOS
Boiling Point 355.827 °C at 760 mmHg
Molecular Weight 189.238
Flash Point 168.999 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Thiazol-2-ylbenzaldehyde;3-(1,3-Thiazol-2-yl)benzaldehyde;
PSA 58.20000
LogP 2.62260

Benzaldehyde,3-(2-thiazolyl)- Specification

The Benzaldehyde,3-(2-thiazolyl)-, with the CAS registry number 885465-97-4, is also known as 3-Thiazol-2-ylbenzaldehyde. This chemical's molecular formula is C₁₀H₇NOS and molecular weight is 189.23. What's more, its IUPAC name is 3-(1,3-thiazol-2-yl)benzaldehyde.

Physical properties of Benzaldehyde,3-(2-thiazolyl)- are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.813; (4)ACD/LogD (pH 7.4): 1.814; (5)ACD/BCF (pH 5.5): 14.064; (6)ACD/BCF (pH 7.4): 14.069; (7)ACD/KOC (pH 7.4): 230.964; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 58.2 Å²; (12)Index of Refraction: 1.645; (13)Molar Refractivity: 54.073 cm³; (14)Molar Volume: 149.087 cm³; (15)Polarizability: 21.436×10^-24cm³; (16)Surface Tension: 53.388 dyne/cm; (17)Density: 1.269 g/cm³; (18)Flash Point: 168.999 °C; (19)Enthalpy of Vaporization: 60.102 kJ/mol; (20)Boiling Point: 355.827 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)C=O)C2=NC=CS2
(2)InChI: InChI=1S/C10H7NOS/c12-7-8-2-1-3-9(6-8)10-11-4-5-13-10/h1-7H
(3)InChIKey: YJMGIEKCDQXKKZ-UHFFFAOYSA-N

Product Name

3-(1,3-THIAZOL-2-YL)BENZALDEHYDE

Benzaldehyde,3-(2-thiazolyl)- Specification

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