Benzoicacid, 3-(2-thiazolyl)-, methyl ester supplier

Name
METHYL 3-THIAZOL-2-YL-BENZOATE
EINECS 604-604-1
CAS No. 168618-63-1
Density 1.25 g/cm³
Solubility
Melting Point
Formula C₁₁H₉NO₂S
Boiling Point 367.8 °C at 760 mmHg
Molecular Weight 219.26
Flash Point 176.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl3-(1,3-thiazol-2-yl)benzoate;Methyl 3-thiazol-2-yl-benzoate;
PSA 67.43000
LogP 2.59670

Benzoicacid, 3-(2-thiazolyl)-, methyl ester Specification

The Benzoicacid, 3-(2-thiazolyl)-, methyl ester is an organic compound with the formula C₁₁H₉NO₂S. The systematic name of this chemical is Methyl 3-(1,3-thiazol-2-yl)benzoate. With the CAS registry number 168618-63-1, it is also named as Methyl 3-thiazol-2-yl-benzoate. The product's category is API intermediates. Besides, its molecular weight is 219.26.

Physical properties about Benzoicacid, 3-(2-thiazolyl)-, methyl ester are: (1)ACD/LogP: 3.49; (2)ACD/LogD (pH 5.5): 3.49; (3)ACD/LogD (pH 7.4): 3.49; (4)ACD/BCF (pH 5.5): 265.38; (5)ACD/BCF (pH 7.4): 265.44; (6)ACD/KOC (pH 5.5): 1890.56; (7)ACD/KOC (pH 7.4): 1890.94; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 67.43 Å²; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 59.09 cm³; (13)Molar Volume: 175.3 cm³; (14)Polarizability: 23.42×10^-24 cm³; (15)Surface Tension: 48.5 dyne/cm; (16)Density: 1.25 g/cm³; (17)Flash Point: 176.2 °C; (18)Enthalpy of Vaporization: 61.44 kJ/mol; (19)Boiling Point: 367.8 °C at 760 mmHg; (20)Vapour Pressure: 1.33E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H9NO2S/c1-14-11(13)9-4-2-3-8(7-9)10-12-5-6-15-10/h2-7H,1H3
(2)InChIKey: YXIVASOYIRWGFB-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C11H9NO2S/c1-14-11(13)9-4-2-3-8(7-9)10-12-5-6-15-10/h2-7H,1H3
(4)Std. InChIKey: YXIVASOYIRWGFB-UHFFFAOYSA-N

Product Name

METHYL 3-THIAZOL-2-YL-BENZOATE

Benzoicacid, 3-(2-thiazolyl)-, methyl ester Specification

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