CAS No.20883-96-9,METHYL 3-(THIEN-2-YL)ACRYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20883-96-9
Name:	METHYL 3-(THIEN-2-YL)ACRYLATE
Article Data:	21

Formula:	C₈H₈O₂S
Molecular Weight:	168.216
Synonyms:	Methyl 3-(2-thienyl)prop-2-enoate;2-Thiopheneacrylicacid, methyl ester (6CI,8CI);Methyl 3-(2-thienyl)acrylate;3-(Thiophene-2-yl)acrylic acid methyl ester;
Density:	1.202 g/cm³
Melting Point:	48-49°C
Boiling Point:	260.8 °C at 760 mmHg
Flash Point:	111.5 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	54.54000
LogP:	1.93430

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- China (Mainland)(20)
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Specification

This chemical is called 2-Propenoic acid,3-(2-thienyl)-, methyl ester, and it can also be named as Methyl 3-(2-thienyl)acrylate. With the molecular formula of C₈H₈O₂S, its molecular weight is 168.21. The CAS registry number of this chemical is 20883-96-9. In addition, this chemical should be sealed in the closed container and stored in the cool and dry place.

Other characteristics of the 2-Propenoic acid,3-(2-thienyl)-, methyl ester can be summarised as followings: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (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: 1.585; (10)Molar Refractivity: 46.93 cm³; (11)Molar Volume: 139.8 cm³; (12)Polarizability: 18.6×10^-24 cm³; (13)Surface Tension: 42.8 dyne/cm; (14)Density: 1.202 g/cm³; (15)Flash Point: 111.5 °C; (16)Enthalpy of Vaporization: 49.85 kJ/mol; (17)Boiling Point:260.8 °C at 760 mmHg; (18)Vapour Pressure: 0.012 mmHg at 25°C.

Uses of this chemical: The 3-[5-(1-hydroxy-nonyl)-5H-thiophen-2-ylidene]-propionic acid methyl ester could be obtained by the reactants of nonanal and 2-Propenoic acid,3-(2-thienyl)-, methyl ester. This reaction needs the reagents of SmI₂ and HMPA, and the solvent of tetrahydrofuran. The yield is 68 %. This reaction should be taken at the temperature of 0 °C.

The 3-[5-(1-hydroxy-nonyl)-5H-thiophen-2-ylidene]-propionic acid methyl ester could be obtained by the reactants of nonanal and 2-Propenoic acid,3-(2-thienyl)-, methyl ester.

When you are using this chemical, please be cautious about it as the followings: Do not empty into drains. Never add water to this product. This material and its container must be disposed of in a safe way. You should wear suitable protective clothing, suitable gloves and eye/face protection when you use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: COC(=O)C=Cc1cccs1
2.InChI: InChI=1/C8H8O2S/c1-10-8(9)5-4-7-3-2-6-11-7/h2-6H,1H3/b5-4-
3.InChIKey: HKVOGMDMMCLQFJ-PLNGDYQABC