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

Name
4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
EINECS
CAS No. 33763-20-1
Article Data12
CAS DataBase
Density 1.319 g/cm³
Solubility
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
Appearance
Safety 22-26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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-;
PSA 78.43000
LogP 2.81670

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

Product Name

4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLIC ACID

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

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