Methyl 2-thienylacetate supplier

Name
Methyl 2-thienylacetate
EINECS 243-054-2
CAS No. 19432-68-9
Article Data39
CAS DataBase
Density 1.185 g/cm³
Solubility
Melting Point
Formula C₇H₈O₂S
Boiling Point 206.7 °C at 760 mmHg
Molecular Weight 156.205
Flash Point 78.8 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl(2-thienyl)acetate;Methyl 2-thiopheneacetate;
PSA 54.54000
LogP 1.46360

Methyl 2-thienylacetate Specification

The Methyl 2-thienylacetate with the CAS number 19432-68-9 is also called 2-Thiopheneacetic acid,methyl ester. The IUPAC name is methyl 2-thiophen-2-ylacetate. Its molecular formula is C₇H₈O₂S. The EINECS registry number is 243-054-2. The product category is Heterocyclic Compounds. While using this chemical, you should take the following instructions. Firstly, you should not breathe vapour. Secondly, you should avoid this chemical contact with skin and eyes.

The properties of the Methyl 2-thienylacetate are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.46; (6)ACD/BCF (pH 7.4): 10.46; (7)ACD/KOC (pH 5.5): 186.78; (8)ACD/KOC (pH 7.4): 186.78; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 40.59 cm³; (15)Molar Volume: 131.7 cm³; (16)Polarizability: 16.09×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Enthalpy of Vaporization: 44.29 kJ/mol; (19)Vapour Pressure: 0.235 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)Cc1sccc1
(2)InChI: InChI=1/C7H8O2S/c1-9-7(8)5-6-3-2-4-10-6/h2-4H,5H2,1H3
(3)InChIKey: KNKIXYMOHMYZJR-UHFFFAOYAD

Product Name

Methyl 2-thienylacetate

Methyl 2-thienylacetate Specification

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