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| CAS No.: | 4771-31-7 |
|---|---|
| Name: | 4-(Chloromethyl)-2-phenyl-1,3-thiazole |
| Article Data: | 51 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H8ClNS |
| Molecular Weight: | 209.699 |
| Synonyms: | 4-chloromethyl-2-phenylthiazole; |
| Density: | 1.27 g/cm3 |
| Melting Point: | 49 °C |
| Boiling Point: | 349.2 °C at 760 mmHg |
| Flash Point: | 165 °C |
| Hazard Symbols: |
 C;  Xi
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 41.13000 |
| LogP: | 3.54890 |
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Specification
The 4-(Chloromethyl)-2-phenyl-1,3-thiazole, with CAS registry number 4771-31-7, belongs to the following product category: Heterocycle. Its systematic name and its IUPAC name are the same, which is 4-(chloromethyl)-2-phenyl-1,3-thiazole. And the chemical formula of this chemical is C10H8ClNS.
Physical properties of 4-(Chloromethyl)-2-phenyl-1,3-thiazole: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 41.13 Å2; (7)Index of Refraction: 1.607; (8)Molar Refractivity: 57.08 cm3; (9)Molar Volume: 165.1 cm3; (10)Polarizability: 22.63×10-24cm3; (11)Surface Tension: 47.3 dyne/cm; (12)Enthalpy of Vaporization: 57.02 kJ/mol; (13)Vapour Pressure: 9.64E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 4-(Chloromethyl)-2-phenyl-1,3-thiazole may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1nc(sc1)c2ccccc2
(2)InChI: InChI=1/C10H8ClNS/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2
(3)InChIKey: SVEGSFSFMLCNFF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H8ClNS/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2
(5)Std. InChIKey: SVEGSFSFMLCNFF-UHFFFAOYSA-N