2-Thenaldehyde

Reported in EPA TSCA Inventory.

The 2-Thiophenecarboxaldehyde is an organic compound with the formula C₅H₄OS. The IUPAC name of this chemical is thiophene-2-carbaldehyde. With the CAS registry number 98-03-3, it is also named as 2-Formylthiophene. The product's categories are Thiophenes; Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Thiophenes & Benzothiophenes; Thiophene & Benzothiophene; Teniposide Ketotifen; Functional Materials; Reagents for Conducting Polymer Research; Thiophene Derivatives (for Conduting Polymer Research); Thiophen; Thiophenes & Benzothiophenes. Besides, it is a clear yellow to light brown liquid, which should be stored in a cool and ventilated place. It is used as an intermediate for broad-spectrum anthelmintic pyrantel and pioneer mycin.

Physical properties about 2-Thiophenecarboxaldehyde are: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 5.5): 1.02; (3)ACD/LogD (pH 7.4): 1.02; (4)ACD/BCF (pH 5.5): 3.51; (5)ACD/BCF (pH 7.4): 3.51; (6)ACD/KOC (pH 5.5): 85.48; (7)ACD/KOC (pH 7.4): 85.48; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.31 Å²; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 31.39 cm³; (13)Molar Volume: 90.5 cm³; (14)Polarizability: 12.44×10^-24cm³; (15)Surface Tension: 45.6 dyne/cm; (16)Density: 1.238 g/cm³; (17)Flash Point: 77.8 °C; (18)Enthalpy of Vaporization: 43.42 kJ/mol; (19)Boiling Point: 198 °C at 760 mmHg; (20)Vapour Pressure: 0.368 mmHg at 25°C.

Preparation: this chemical can be prepared by thiophen-2-yl-methanol . This reaction will need reagent NaNO₂ and Ac₂O. The reaction temperature is 25 °C. The yield is about 97%.

Uses of 2-Thiophenecarboxaldehyde: it can be used to produce 1-[2]thienylmethyl-piperidine. It will need reagent formic acid.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and may cause sensitisation by skin contact. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and avoid contact with skin.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1sccc1
(2)InChI: InChI=1/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
(3)InChIKey: CNUDBTRUORMMPA-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
(5)Std. InChIKey: CNUDBTRUORMMPA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	skin	> 10mL/kg (10mL/kg)		National Technical Information Service. Vol. OTS0533616,
mouse	LD50	oral	565mg/kg (565mg/kg)		National Technical Information Service. Vol. OTS0533616,
rat	LD50	oral	915mg/kg (915mg/kg)		National Technical Information Service. Vol. OTS0533616,