2-Thiophenecarboxylicacid, 4-bromo-

The IUPAC name of 4-Bromo-2-thiophenecarboxylic acid is 4-bromothiophene-2-carboxylic acid. With the CAS registry number 16694-18-1, it is also named as 2-Thiophenecarboxylicacid, 4-bromo-. The product's categories are Azoles; Blocks; Bromides; Carboxes; Thiophene & Benzothiophene; Organic acids; Building Blocks; Carboxy; Thiophene. Besides, it is white to light yellow crystal powder. In addition, its molecular formula is C₅H₃BrO₂S and molecular weight is 207.04.

The other characteristics of 4-Bromo-2-thiophenecarboxylic acid can be summarized as: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.778; (4)ACD/BCF (pH 5.5): 1; (5) ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.933; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 65.54 Å²; (12)Index of Refraction: 1.65; (13)Molar Refractivity: 39.257 cm³; (14)Molar Volume: 107.627 cm³; (15)Polarizability: 15.563×10^-24cm³; (16)Surface Tension: 62.865 dyne/cm; (17)Density: 1.924 g/cm³; (18)Flash Point: 149.594 °C; (19)Melting point: 121 °C; (20)Enthalpy of Vaporization: 59.719 kJ/mol; (21)Boiling Point: 323.742 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

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. Please do not breathe dust.  Moreover, it irritates to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1c(csc1C(=O)O)Br
(2)InChI: InChI=1/C5H3BrO2S/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8)
(3)InChIKey: HJZFPRVFLBBAMU-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C5H3BrO2S/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8)
(5)Std. InChIKey: HJZFPRVFLBBAMU-UHFFFAOYSA-N