Benzoic acid,4-(2-thiazolyl)-, methyl ester supplier

Name
METHYL 4-THIAZOL-2-YL-BENZOATE
EINECS
CAS No. 305806-42-2
Article Data2
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point
Formula C₁₁H₉NO₂S
Boiling Point 355.8 °C at 760 mmHg
Molecular Weight 219.264
Flash Point 169 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 4-(1,3-thiazol-2-yl)benzoate;Methyl 4-thiazol-2-yl-benzoate;4-Thiazol-2-ylbenzoic acid methyl ester;Methyl 4-(2-thiazolyl)benzoate;
PSA 67.43000
LogP 2.59670

Benzoic acid,4-(2-thiazolyl)-, methyl ester Specification

The Benzoic acid,4-(2-thiazolyl)-, methyl ester, with the CAS registry number 305806-42-2, is also known as Methyl 4-thiazol-2-yl-benzoate. This chemical's molecular formula is C₁₁H₉NO₂S and molecular weight is 219.26. What's more, its systematic name is Methyl 4-(1,3-thiazol-2-yl)benzoate and it belongs to the product category of API Intermediates.

Physical properties of Benzoic acid,4-(2-thiazolyl)-, methyl ester are: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.65; (5)ACD/BCF (pH 5.5): 347.51; (6)ACD/BCF (pH 7.4): 347.54; (7)ACD/KOC (pH 5.5): 2293.08; (8)ACD/KOC (pH 7.4): 2293.27; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 59.09 cm³; (15)Molar Volume: 175.3 cm³; (16)Polarizability: 23.42×10^-24cm³; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 169 °C; (20)Enthalpy of Vaporization: 60.1 kJ/mol; (21)Boiling Point: 355.8 °C at 760 mmHg; (22)Vapour Pressure: 3.06E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2ccc(c1nccs1)cc2
(2)InChI: InChI=1/C11H9NO2S/c1-14-11(13)9-4-2-8(3-5-9)10-12-6-7-15-10/h2-7H,1H3
(3)InChIKey: AUKYMEYSRKQKSE-UHFFFAOYSA-N

Product Name

METHYL 4-THIAZOL-2-YL-BENZOATE

Benzoic acid,4-(2-thiazolyl)-, methyl ester Specification

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