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33763-20-1

Basic Information
CAS No.: 33763-20-1
Name: 5-Thiazolecarboxylicacid, 4-methyl-2-phenyl-
Molecular Structure:
Molecular Structure of 33763-20-1 (5-Thiazolecarboxylicacid, 4-methyl-2-phenyl-)
Formula: C11H9NO2S
Molecular Weight: 219.26
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-;
EINECS:
Density: 1.319 g/cm3
Melting Point: 210-212°C
Boiling Point: 424 °C at 760 mmHg
Flash Point: 210.3 °C
Solubility:
Appearance:
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-26-36/37/39
Transport Information:
PSA: 78.43000
LogP: 2.81670
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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