Thiazole,2-(4-chlorophenyl)- supplier

Name
2-(4-ethylphenyl)thiazole
EINECS
CAS No. 27149-26-4
Article Data9
CAS DataBase
Density 1.309 g/cm³
Solubility
Melting Point
Formula C₉H₆ClNS
Boiling Point 306.2 °C at 760 mmHg
Molecular Weight 195.672
Flash Point 139 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thiazole,2-(p-chlorophenyl)- (8CI);2-(4-Chlorophenyl)thiazole;2-(p-Chlorophenyl)thiazole;thiazole, 2-(4-chlorophenyl)-;
PSA 41.13000
LogP 3.46350

Thiazole,2-(4-chlorophenyl)- Specification

The Thiazole,2-(4-chlorophenyl)-, with the CAS registry number 27149-26-4, has the systematic name of 2-(4-chlorophenyl)thiazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₆ClNS.

The characteristics of Thiazole,2-(4-chlorophenyl)- are as followings: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 649.48; (6)ACD/BCF (pH 7.4): 649.57; (7)ACD/KOC (pH 5.5): 3587.69; (8)ACD/KOC (pH 7.4): 3588.24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 52.21 cm³; (15)Molar Volume: 149.3 cm³; (16)Polarizability: 20.69×10^-24cm³; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.309 g/cm³; (19)Flash Point: 139 °C; (20)Enthalpy of Vaporization: 52.49 kJ/mol; (21)Boiling Point: 306.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00142 mmHg at 25°C.

Preparation of Thiazole,2-(4-chlorophenyl)-: This chemical can be prepared by 1-bromo-4-chloro-benzene and 2-trimethylstannanyl-thiazole, and the other product is [2,2']bithiazolyl. The reaction will need catalyst PdCl₂(PPh₃)₂, and the menstruum tetrahydrofuran. And the yield is about 80%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(ccc1c2nccs2)Cl
(2)InChI: InChI=1/C9H6ClNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H
(3)InChIKey: ZOXFEAVBPDEHEV-UHFFFAOYAI

Product Name

2-(4-ethylphenyl)thiazole

Thiazole,2-(4-chlorophenyl)- Specification

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