3-Buten-2-one,4-(2-thienyl)-, (3E)- supplier

Name
4-(2-THIENYL)BUT-3-EN-2-ONE
EINECS
CAS No. 33603-63-3
Article Data1
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point 25-26 °C (lit.)
Formula C₈H₈OS
Boiling Point 271.5 °C at 760 mmHg
Molecular Weight 152.217
Flash Point 118 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Buten-2-one,4-(2-thienyl)-, (E)- (8CI);(3E)-4-(2-Thienyl)-3-buten-2-one;(E)-4-(2-Thienyl)-3-buten-2-one;SR 4668;
PSA 45.31000
LogP 2.35030

3-Buten-2-one,4-(2-thienyl)-, (3E)- Specification

The 3-Buten-2-one, 4-(2-thienyl)-, (3E)-, with the CAS registry number 33603-63-3, is also known as (3E)-4-(2-Thienyl)but-3-en-2-one. It belongs to the product categories of Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Thiophenes. This chemical's molecular formula is C₈H₈OS and molecular weight is 152.21. What's more, its systematic name is (3E)-4-(Thiophen-2-yl)but-3-en-2-one. In addition, it must be stored in airtight containers and placed in a dry, cool place. And you should ensure the work place is well-ventilated. Besides, the vapour of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

Physical properties about 3-Buten-2-one, 4-(2-thienyl)-, (3E)- are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.31 Å²; (7)Index of Refraction: 1.592; (8)Molar Refractivity: 45.18 cm³; (9)Molar Volume: 133.5 cm³; (10)Polarizability: 17.91×10^-24 cm³; (11)Surface Tension: 41.1 dyne/cm; (12)Density: 1.14 g/cm³; (13)Flash Point: 118 °C; (14)Enthalpy of Vaporization: 50.97 kJ/mol; (15)Boiling Point: 271.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00643 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(\C=C\c1sccc1)C
(2) InChI: InChI=1/C8H8OS/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4+
(3) InChIKey: CIMALVIHZVKKPE-SNAWJCMRBP

Product Name

4-(2-THIENYL)BUT-3-EN-2-ONE

3-Buten-2-one,4-(2-thienyl)-, (3E)- Specification

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