3-Thiophenecarboxylicacid, 4-phenyl-, methyl ester supplier

Name
METHYL 4-PHENYLTHIOPHENE-3-CARBOXYLATE
EINECS
CAS No. 38695-71-5
Article Data3
CAS DataBase
Density 1.198 g/cm³
Solubility
Melting Point 48-49°C
Formula C₁₂H₁₀O₂S
Boiling Point 320.8 °C at 760 mmHg
Molecular Weight 218.276
Flash Point 147.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Methyl4-phenyl-3-thienoate;
PSA 54.54000
LogP 3.20170

3-Thiophenecarboxylicacid, 4-phenyl-, methyl ester Specification

The 3-Thiophenecarboxylicacid, 4-phenyl-, methyl ester, with CAS registry number 38695-71-5, has the systematic name of methyl 4-phenylthiophene-3-carboxylate. And the chemical formula of this chemical is C₁₂H₁₀O₂S. Its molecular weight is 218.27.

Physical properties of 3-Thiophenecarboxylicacid, 4-phenyl-, methyl ester: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 54.54 Å²; (9)Index of Refraction: 1.584; (10)Molar Refractivity: 61 cm³; (11)Molar Volume: 182 cm³; (12)Polarizability: 24.18×10^-24cm³; (13)Surface Tension: 43.8 dyne/cm; (14)Density: 1.198 g/cm³; (15)Flash Point: 147.8 °C; (16)Enthalpy of Vaporization: 56.24 kJ/mol; (17)Boiling Point: 320.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000311 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cscc1c2ccccc2
(2)InChI: InChI=1/C12H10O2S/c1-14-12(13)11-8-15-7-10(11)9-5-3-2-4-6-9/h2-8H,1H3
(3)InChIKey: AJMHUFVILVTYTG-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H10O2S/c1-14-12(13)11-8-15-7-10(11)9-5-3-2-4-6-9/h2-8H,1H3
(5)Std. InChIKey: AJMHUFVILVTYTG-UHFFFAOYSA-N

Product Name

METHYL 4-PHENYLTHIOPHENE-3-CARBOXYLATE

3-Thiophenecarboxylicacid, 4-phenyl-, methyl ester Specification

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