2-Chloro-5-thiophenecarboxaldehyde

The IUPAC name of 5-Chlorothiophene-2-carbaldehyde is 5-chlorothiophene-2-carbaldehyde. With the CAS registry number 7283-96-7, it is also named as 2-Thiophenecarboxaldehyde, 5-chloro-. The product's categories are Aldehydes; Azoles; Blocks; Thiophene & Benzothiophene; Miscellaneous; Chiral Chemicals; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; Thiophenes Building Blocks. Besides, it is clear yellow liquid, which should be closed in a cool and dry place. In addition, its molecular formula is C₅H₃ClOS and molecular weight is 146.59.

The other characteristics of this product can be summarized as: (1)EINECS: 230-708-7; (2)ACD/LogP: 1.68; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.68; (5)ACD/LogD (pH 7.4): 1.68; (6)ACD/BCF (pH 5.5): 11.22; (7)ACD/BCF (pH 7.4): 11.22; (8)ACD/KOC (pH 5.5): 196.39; (9)ACD/KOC (pH 7.4): 196.39; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Polar Surface Area: 45.31 Å²; (14)Index of Refraction: 1.625; (15)Molar Refractivity: 36.28 cm³; (16)Molar Volume: 102.5 cm³; (17)Polarizability: 14.38×10^-24cm³; (18)Surface Tension: 49 dyne/cm; (19)Density: 1.429 g/cm³; (20)Flash Point: 87.5 °C; (21)Enthalpy of Vaporization: 45.75 kJ/mol; (22)Boiling Point: 221.1 °C at 760 mmHg; (23)Vapour Pressure: 0.109 mmHg at 25 °C.

Preparation of 5-Chlorothiophene-2-carbaldehyde: this chemical can be prepared by thiophene-2-carbaldehyde.



This reaction needs BTMA ICl₂/ZnCl₂ and acetic acid at temperature of 70 °C. The reaction time is 24 hours. The yield is 50 %.

Uses of 5-Chlorothiophene-2-carbaldehyde: it can react with 2-hydrazino-pyridine to get N-(5-chloro-thiophen-2-ylmethylene)-N'-pyridin-2-yl-hydrazine.



This reaction needs ethanol by heating for 1 hour. The yield is 56 %.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. It also irritates to eyes, respiratory system and skin. And it may cause sensitization by skin contact, so please avoid contact with skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=C(SC(=C1)Cl)C=O
(2)InChI: InChI=1S/C5H3ClOS/c6-5-2-1-4(3-7)8-5/h1-3H
(3)InChIKey: VWYFITBWBRVBSW-UHFFFAOYSA-N