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Benzaldehyde,4-(2-thienyl)-

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Name

Benzaldehyde,4-(2-thienyl)-

EINECS N/A
CAS No. 107834-03-7 Density 1.207 g/cm3
PSA 45.31000 LogP 3.22760
Solubility N/A Melting Point 67 °C
Formula C11H8OS Boiling Point 324.9 °C at 760 mmHg
Molecular Weight 188.25 Flash Point 122.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 107834-03-7 (3-THIOPHEN-2-YL-BENZALDEHYDE) Hazard Symbols IrritantXi
Synonyms

2-(4-Formylphenyl)thiophene;4-(2-Thienyl)benzaldehyde;4-Thiophen-2-ylbenzaldehyde;

Article Data 42

Benzaldehyde,4-(2-thienyl)- Specification

The Benzaldehyde,4-(2-thienyl)-, with the CAS registry number 107834-03-7, is also known as 4-(2-Thienyl)benzaldehyde. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Thiophenes. This chemical's molecular formula is C11H8OS and molecular weight is 188.25. What's more, its systematic name is 4-thiophen-2-ylbenzaldehyde. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from strong oxides.

Physical properties of Benzaldehyde,4-(2-thienyl)- are: (1)ACD/LogP: 3.63; (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: 1.637; (8)Molar Refractivity: 55.98 cm3; (9)Molar Volume: 155.8 cm3; (10)Surface Tension: 47.3 dyne/cm; (11)Density: 1.207 g/cm3; (12)Flash Point: 122.1 °C; (13)Enthalpy of Vaporization: 56.69 kJ/mol; (14)Boiling Point: 324.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000239 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)C2=CC=C(C=C2)C=O
(2)InChI: InChI=1S/C11H8OS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-8H
(3)InChIKey: UECDQUOWFRTJOH-UHFFFAOYSA-N

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