CAS No.1124-65-8,3-(2-THIENYL)ACRYLIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1124-65-8
Name:	3-(2-THIENYL)ACRYLIC ACID
Article Data:	102

Formula:	C₇H₆O₂S
Molecular Weight:	154.189
Synonyms:	2-Thiopheneacrylicacid (6CI,7CI,8CI);2-Thienylacrylic acid;3-(2-Thienyl)-2-propenoic acid;3-(2-Thienyl)acrylic acid;3-(2-Thienyl)propenoic acid;3-(Thien-2-yl)acrylicacid;3-(Thiophene-2-yl)acrylic acid;3-Thiophen-2-ylacrylic acid;NSC 4247;
EINECS:	214-402-0
Density:	1.346 g/cm³
Melting Point:	145-148 °C (lit.)
Boiling Point:	298.9 °C at 760 mmHg
Flash Point:	134.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37
PSA:	65.54000
LogP:	1.84590

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Specification

The 2-Propenoic acid, 3-(2-thienyl)-, with the CAS registry number of 1124-65-8, is also known as 2-Propenoic acid, 3-(2-thienyl)- (9CI). It belongs to the product category of Heterocyclic Compounds. Its EINECS registry number is 214-402-0. This chemical's molecular formula is C₇H₆O₂S and molecular weight is 154.19. What's more, its IUPAC name is 3-Thiophen-2-ylprop-2-enoic acid.

Physical properties about 2-Propenoic acid, 3-(2-thienyl)- are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): -0.75; (5)ACD/BCF (pH 5.5): 1.88; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.14; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 42.09 cm³; (15)Molar Volume: 114.5 cm³; (16)Surface Tension: 57.3 dyne/cm; (17)Density: 1.346 g/cm³; (18)Flash Point: 134.6 °C; (19)Enthalpy of Vaporization: 56.9 kJ/mol; (20)Boiling Point: 298.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000551 mmHg at 25 °C.

Preparation of 2-Propenoic acid, 3-(2-thienyl)-: this chemical is prepared by reaction of Malonic acid with Thiophene-2-carbaldehyde. Meanwhile, it needs catalyst Piperidine and solvent Pyridine. This reaction needs two steps, the reaction conditions are 1.) 100 °C, 12 h, 2.) reflux, 20 min. The yield is about 80 %.

The 2-Propenoic acid, 3-(2-thienyl)- can be obtained by Malonic acid and Thiophene-2-carbaldehyde.

Uses of 2-Propenoic acid, 3-(2-thienyl)-: it is used to produce other chemicals. For example, it is used to produce 3-Thiophen-2-yl-acryloyl chloride by heating. This reaction needs reagents SOCl₂ and DMF. Meanwhile, it needs solvent CHCl₃. The reaction time is 2 hours. The yield is about 99 %.

2-Propenoic acid, 3-(2-thienyl)- can be used to produce 3-Thiophen-2-yl-acryloyl chloride.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing and gloves. 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: O=C(O)C=Cc1sccc1
(2) InChI: InChI=1/C7H6O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)
(3) InChIKey: KKMZQOIASVGJQE-UHFFFAOYAK