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1195-52-4

Basic Information
CAS No.: 1195-52-4
Name: 3-(3-THIENYL)ACRYLIC ACID
Article Data: 19
Molecular Structure:
Molecular Structure of 1195-52-4 (3-(3-THIENYL)ACRYLIC ACID)
Formula: C7H6O2S
Molecular Weight: 154.189
Synonyms: 3-Thiopheneacrylicacid (6CI,7CI,8CI);3-(3-Thienyl)-2-propenoic acid;3-(3-Thienyl)acrylic acid;3-(3-Thienyl)propenoic acid;3-(Thien-3-yl)acrylic acid;3-(Thiophene-3-yl)acrylic acid;3-(Thiophene-3-yl)propenoic acid;
EINECS: 214-800-4
Density: 1.346 g/cm3
Melting Point: 155 °C
Boiling Point: 298.9 °C at 760 mmHg
Flash Point: 134.6 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 65.54000
LogP: 1.84590
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  • 3-(3-thienyl)acrylic acid  CAS NO.1195-52-4

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Specification

The 2-Propenoic acid, 3-(3-thienyl)-, with the CAS registry number of 1195-52-4, is also known as 3-(3-Thienyl)propenoic acid. It belongs to the product category of API Intermediates. Its EINECS registry number is 214-800-4. This chemical's molecular formula is C7H6O2S and molecular weight is 154.19. What's more, its IUPAC name is (E)-3-Thiophen-3-ylprop-2-enoate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with oxidant. Besides, you should ensure the work place is well-ventilated.

Physical properties about 2-Propenoic acid, 3-(3-thienyl)- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 2.28; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.75; (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.

When you are using 2-Propenoic acid, 3-(3-thienyl)-, 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. 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=C\c1ccsc1
(2) InChI: InChI=1/C7H6O2S/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)/b2-1+
(3) InChIKey: VYRYYUKILKRGDN-OWOJBTEDBQ