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54449-42-2

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Basic Information
CAS No.: 54449-42-2
Name: 3-(3-Thienyl)-acryloyl chloride
Article Data: 3
Molecular Structure:
Molecular Structure of 54449-42-2 (3-(3-Thienyl)-acryloyl chloride)
Formula: C7H5ClOS
Molecular Weight: 172.63
Synonyms: 3-(3-THIENYL)-ACRYLOYL CHLORIDE
Density: 1.345 g/cm3
Boiling Point: 268.672 °C at 760 mmHg
Flash Point: 116.289 °C
PSA: 45.31000
LogP: 2.52670
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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

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    3-(3-THIENYL)-ACRYLOYL CHLORIDEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 3-(3-Thienyl)-acryloyl chloride is an organic compound with the formula C7H5ClOS. The systematic name of this chemical is (2E)-3-(thiophen-3-yl)prop-2-enoyl chloride. With the CAS registry number 54449-42-2, it is also named as 2-propenoyl chloride, 3-(3-thienyl)-, (2E)-. In addition, the molecular weight is 172.63.

The other characteristics of 3-(3-Thienyl)-acryloyl chloride can be summarized as: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 109; (6)ACD/BCF (pH 7.4): 109; (7)ACD/KOC (pH 5.5): 1002; (8)ACD/KOC (pH 7.4): 1002; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 45.405 cm3; (15)Molar Volume: 128.393 cm3; (16)Polarizability: 18×10-24 cm3; (17)Surface Tension: 47.406 dyne/cm; (18)Density: 1.345 g/cm3; (19)Flash Point: 116.289 °C; (20)Enthalpy of Vaporization: 50.676 kJ/mol; (21)Boiling Point: 268.672 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(Cl)/C=C/c1ccsc1
2. InChI:InChI=1/C7H5ClOS/c8-7(9)2-1-6-3-4-10-5-6/h1-5H/b2-1+
3. InChIKey:RBAJKSGPATVNEF-OWOJBTEDBS
4. Std. InChI:InChI=1S/C7H5ClOS/c8-7(9)2-1-6-3-4-10-5-6/h1-5H/b2-1+
5. Std. InChIKey:RBAJKSGPATVNEF-OWOJBTEDSA-N