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4-Methyl-2-phenylthiazole-5-carboxylic acid

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Name

4-Methyl-2-phenylthiazole-5-carboxylic acid

EINECS N/A
CAS No. 33763-20-1 Density 1.319 g/cm3
PSA 78.43000 LogP 2.81670
Solubility N/A Melting Point 210-212°C
Formula C11H9NO2S Boiling Point 424 °C at 760 mmHg
Molecular Weight 219.264 Flash Point 210.3 °C
Transport Information N/A Appearance N/A
Safety 22-26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 33763-20-1 (4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLIC ACID) Hazard Symbols IrritantXi
Synonyms

2-Phenyl-4-methyl-5-thiazolecarboxylicacid;4-Methyl-2-phenyl-1,3-thiazole-5-carboxylic acid;4-Methyl-2-phenylthiazole-5-carboxylicacid;5-Thiazolecarboxylic acid, 4-methyl-2-phenyl-;

Article Data 12

4-Methyl-2-phenylthiazole-5-carboxylic acid Specification

The 4-Methyl-2-phenylthiazole-5-carboxylic acid, with the CAS registry number 33763-20-1, has the systematic name of 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid. It should be stored at cool and dry environment. And the molecular formula of the chemical is C11H9NO2S.

The characteristics of 4-Methyl-2-phenylthiazole-5-carboxylic acid are as followings: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.22; (8)ACD/KOC (pH 7.4): 1.2; (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: 1.629; (14)Molar Refractivity: 59.07 cm3; (15)Molar Volume: 166.2 cm3; (16)Polarizability: 23.41×10-24cm3; (17)Surface Tension: 57.4 dyne/cm; (18)Density: 1.319 g/cm3; (19)Flash Point: 210.3 °C; (20)Enthalpy of Vaporization: 71.52 kJ/mol; (21)Boiling Point: 424 °C at 760 mmHg; (22)Vapour Pressure: 6.02E-08 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Do not breathe dust, wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1sc(nc1C)c2ccccc2
(2)InChI: InChI=1/C11H9NO2S/c1-7-9(11(13)14)15-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
(3)InChIKey: CRSMRBYEBHOYRM-UHFFFAOYAZ

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