2-NITROTHIOPHENE-4-CARBOXYLIC ACID

The CAS register number of 2-Nitrothiophene-4-carboxylic acid is 40357-96-8. It also can be called as 3-Thiophenecarboxylicacid, 5-nitro- and the IUPAC name about this chemical is 5-nitrothiophene-3-carboxylic acid. The molecular formula about this chemical is C₅H₃NO₄S and the molecular weight is 173.15. It belongs to the following product categories, such as Carboxylic Acids; Thiophenes & Benzothiophenes; Carboxylic Acids; Thiophenes & Benzothiophenes and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about 2-Nitrothiophene-4-carboxylic acid are: (1)ACD/LogP: 1.48; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 111.36Ų; (10)Index of Refraction: 1.66; (11)Molar Refractivity: 38.113 cm³; (12)Molar Volume: 103.284 cm³; (13)Polarizability: 15.109x10^-24cm³; (14)Surface Tension: 79.127 dyne/cm; (15)Enthalpy of Vaporization: 64.744 kJ/mol; (16)Boiling Point: 367.165 °C at 760 mmHg.

Preparation: this chemical can be prepared by thiophene-3-carboxylic acid. This reaction will need reagent sulfuric acid and nitric acid. The reaction temperature is <-5 ℃.

Uses of 2-Nitrothiophene-4-carboxylic acid: it can be used to produce 2-nitrothiophene-4-carbonyl chloride at heating. This reaction will need reagent SOCl₂ with reaction time of 3 hour(s). The yield is about 96%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(csc1[N+](=O)[O-])C(=O)O
(2)InChI: InChI=1/C5H3NO4S/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2H,(H,7,8)
(3)InChIKey: VNJUNWUOAKEIKG-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H3NO4S/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2H,(H,7,8)
(5)Std. InChIKey: VNJUNWUOAKEIKG-UHFFFAOYSA-N