3-Thiophen-3-ylbenzaldehyde supplier

Name
3-THIEN-3-YLBENZALDEHYDE
EINECS 604-604-1
CAS No. 129746-42-5
Article Data4
CAS DataBase
Density 1.207g/cm³
Solubility
Melting Point 48 °C
Formula C₁₁H₈OS
Boiling Point 302.865 °C at 760 mmHg
Molecular Weight 188.25
Flash Point 114.963 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(3-Thienyl)benzaldehyde;
PSA 45.31000
LogP 3.22760

3-Thiophen-3-ylbenzaldehyde Specification

The 3-Thiophen-3-ylbenzaldehyde is an organic compound with the formula C₁₁H₈OS. The IUPAC name of this chemical is 3-thiophen-3-ylbenzaldehyde. With the CAS registry number 129746-42-5, it is also named as Benzaldehyde, 3-(3-thienyl)-.

Physical properties about 3-Thiophen-3-ylbenzaldehyde are: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 2.591; (3)ACD/LogD (pH 7.4): 2.591; (4)ACD/BCF (pH 5.5): 54.843; (5)ACD/BCF (pH 7.4): 54.843; (6)ACD/KOC (pH 5.5): 611.616; (7)ACD/KOC (pH 7.4): 611.616; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 45.31 Å²; (11)Index of Refraction: 1.638; (12)Molar Refractivity: 55.982 cm³; (13)Molar Volume: 155.864 cm³; (14)Polarizability: 22.193×10^-24cm³; (15)Surface Tension: 47.345 dyne/cm; (16)Density: 1.208 g/cm³; (17)Flash Point: 114.963 °C; (18)Enthalpy of Vaporization: 54.311 kJ/mol; (19)Boiling Point: 302.865 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)c2ccsc2)C=O
(2)InChI: InChI=1/C11H8OS/c12-7-9-2-1-3-10(6-9)11-4-5-13-8-11/h1-8H
(3)InChIKey: HOQKGZHXQLZFBT-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H8OS/c12-7-9-2-1-3-10(6-9)11-4-5-13-8-11/h1-8H
(5)Std. InChIKey: HOQKGZHXQLZFBT-UHFFFAOYSA-N

Product Name

3-THIEN-3-YLBENZALDEHYDE

3-Thiophen-3-ylbenzaldehyde Specification

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