-
Name
2-(4-TRIFLUOROMETHYL-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID
- EINECS
- CAS No. 144061-16-5
- Article Data2
- CAS DataBase
- Density 1.489 g/cm3
- Solubility
- Melting Point 186 °C
- Formula C11H6F3NO2S
- Boiling Point 405.2 °C at 760 mmHg
- Molecular Weight 273.23
- Flash Point 198.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-(4-Trifluoromethylphenyl)thiazole-4-carboxylicacid;
- PSA 78.43000
- LogP 3.52710
4-Thiazolecarboxylicacid, 2-[4-(trifluoromethyl)phenyl]- Specification
This chemical is called 4-Thiazolecarboxylicacid, 2-[4-(trifluoromethyl)phenyl]-, and its systematic name is 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid. With the molecular formula of C11H6F3NO2S, its molecular weight is 273.23. The CAS registry number of this chemical is 144061-16-5.
Other characteristics of the 4-Thiazolecarboxylicacid, 2-[4-(trifluoromethyl)phenyl]- can be summarised as followings: (1)ACD/LogP: 3.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 3.73; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.87; (8)ACD/KOC (pH 7.4): 2.44; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 59.23 cm3; (15)Molar Volume: 183.4 cm3; (16)Polarizability: 23.48×10-24cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.489 g/cm3; (19)Flash Point: 198.9 °C; (20)Enthalpy of Vaporization: 69.25 kJ/mol; (21)Boiling Point: 405.2 °C at 760 mmHg; (22)Vapour Pressure: 2.71E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c2ccc(c1nc(cs1)C(=O)O)cc2
2.InChI: InChI=1/C11H6F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-5H,(H,16,17)
3.InChIKey: NFDUVSSDGPDOLR-UHFFFAOYAW
Related Products
- 4-Thiazolecarboxylicacid, 2-(1H-indol-3-ylcarbonyl)-, methyl ester
- 4-Thiazolecarboxylicacid, 2-(3,5-dichlorophenyl)-, ethyl ester
- 4-Thiazolecarboxylicacid, 2-(3-methoxyphenyl)-, ethyl ester
- 4-Thiazolecarboxylicacid, 2-(3-pyridinyl)-
- 4-Thiazolecarboxylicacid, 2-(4-bromophenyl)-, ethyl ester
- 4-Thiazolecarboxylicacid, 2-(4-fluorophenyl)-
- 4-Thiazolecarboxylicacid, 2-(4-methylphenyl)-
- 4-Thiazolecarboxylicacid, 2-(4-morpholinyl)-
- 4-Thiazolecarboxylicacid, 2-(4-morpholinyl)-, ethyl ester
- 4-Thiazolecarboxylicacid, 2-(4-nitrophenyl)-, ethyl ester
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