CAS No.16441-28-4,(2-PHENYL-THIAZOL-4-YL)-ACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16441-28-4
Name:	(2-PHENYL-THIAZOL-4-YL)-ACETIC ACID

Formula:	C₁₁H₉NO₂S
Molecular Weight:	219.264
Synonyms:	2-(2-Phenyl-1,3-thiazol-4-yl)acetic acid;(2-Phenyl-thiazol-4-yl)-acetic acid;(2-phenyl-1,3-thiazol-4-yl)acetic acid;2-(2-phenylthiazol-4-yl)aceticacidhydrochloride;
Density:	1.329 g/cm³
Melting Point:	82-85 °C
Boiling Point:	423 °C at 760 mmHg
Flash Point:	209.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	78.43000
LogP:	2.43720

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Specification

The CAS register number of 4-Thiazoleaceticacid, 2-phenyl- is 16441-28-4. It also can be called as (2-Phenyl-thiazol-4-yl)-acetic acid and the IUPAC name about this chemical is 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid. The molecular formula about this chemical is C₁₁H₉NO₂S and the molecular weight is 219.26.

Physical properties about 4-Thiazoleaceticacid, 2-phenyl- are: (1)ACD/LogP: 2.53; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4):; (4)ACD/BCF (pH 5.5): 1.03; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.87; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 67.43 Å²; (12)Index of Refraction: 1.626; (13)Molar Refractivity: 58.43 cm³; (14)Molar Volume: 164.8 cm³; (15)Polarizability: 23.16x10^-24cm³; (16)Surface Tension: 58.6 dyne/cm; (17)Density: 1.329 g/cm³; (18)Flash Point: 209.6 °C; (19)Enthalpy of Vaporization: 71.39 kJ/mol; (20)Boiling Point: 423 °C at 760 mmHg; (21)Vapour Pressure: 6.56E-08 mmHg at 25 °C.

Uses of 4-Thiazoleaceticacid, 2-phenyl-: it can be used to produce 4-methyl-2-(2-phenyl-thiazol-4-yl)-pent-4-enoic acid with 3-bromo-2-methyl-propene. This reaction will need reagent of LDA and solvent of tetrahydrofuran. This reaction needs two steps. The reaction time is 1 hour with reaction temperature of 0 °C. The yield is about 42%.

4-Thiazoleaceticacid, 2-phenyl- can be used to produce 4-methyl-2-(2-phenyl-thiazol-4-yl)-pent-4-enoic acid with 3-bromo-2-methyl-propene.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1nc(sc1)c2ccccc2
(2)InChI: InChI=1/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
(3)InChIKey: LYHDWKGJPJRCTG-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
(5)Std. InChIKey: LYHDWKGJPJRCTG-UHFFFAOYSA-N