Benzaldehyde,4-(2-thiazolyl)- supplier

Name
4-(1,3-THIAZOL-2-YL)BENZALDEHYDE
EINECS
CAS No. 198904-53-9
Article Data11
CAS DataBase
Density 1.269 g/cm³
Solubility
Melting Point
Formula C₁₀H₇NOS
Boiling Point 350.298 °C at 760 mmHg
Molecular Weight 189.238
Flash Point 165.655 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(2-Thiazolyl)benzaldehyde;4-Thiazol-2-yl-benzaldehyde;
PSA 58.20000
LogP 2.62260

Benzaldehyde,4-(2-thiazolyl)- Specification

The Benzaldehyde,4-(2-thiazolyl)-, with the CAS registry number 198904-53-9, is also known as 4-(Thiazol-2-yl)benzaldehyde. It belongs to the product categories of Aldehydes; Phenyls & Phenyl-Het. This chemical's molecular formula is C₁₀H₇NOS and molecular weight is 189.23. What's more, both its IUPAC name and systematic name are the same which is called 4-(1,3-Thiazol-2-yl)benzaldehyde.

Physical properties about Benzaldehyde,4-(2-thiazolyl)- are: (1) ACD/LogP: 2.07; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3; (4) ACD/LogD (pH 7.4): 3; (5) ACD/BCF (pH 5.5): 132; (6) ACD/BCF (pH 7.4): 132; (7) ACD/KOC (pH 5.5): 1144; (8) ACD/KOC (pH 7.4): 1144; (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: 1.645; (14) Molar Refractivity: 54.073 cm³; (15) Molar Volume: 149.087 cm³; (16) Surface Tension: 53.388 dyne/cm; (17) Density: 1.269 g/cm³; (18) Flash Point: 165.655 °C; (19) Enthalpy of Vaporization: 59.488 kJ/mol; (20) Boiling Point: 350.298 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2ccc(c1nccs1)cc2
(2) InChI: InChI=1/C10H7NOS/c12-7-8-1-3-9(4-2-8)10-11-5-6-13-10/h1-7H
(3) InChIKey: LQLBILPEELCFQI-UHFFFAOYAW

Product Name

4-(1,3-THIAZOL-2-YL)BENZALDEHYDE

Benzaldehyde,4-(2-thiazolyl)- Specification

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