2-BROMO-3-THIOPHENECARBOXYLIC ACID 97

The 2-Bromo-3-thiophenecarboxylic acid, with CAS registry number 24287-95-4, belongs to the following product categories: (1)Thiophenes Building Blocks; (2)Halogenated Heterocycles; (3)Heterocyclic Building Blocks; (4)Thiophenes. It has the systematic name of 2-bromothiophene-3-carboxylic acid. And the chemical formula of this chemical is C₅H₃BrO₂S.

Physical properties of 2-Bromo-3-thiophenecarboxylic acid: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.54 Å²; (11)Index of Refraction: 1.65; (12)Molar Refractivity: 39.257 cm³; (13)Molar Volume: 107.627 cm³; (14)Polarizability: 15.563×10^-24cm³; (15)Surface Tension: 62.865 dyne/cm; (16)Density: 1.924 g/cm³; (17)Flash Point: 143.225 °C; (18)Enthalpy of Vaporization: 58.52 kJ/mol; (19)Boiling Point: 313.211 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Bromo-3-thiophenecarboxylic acid irritates to eyes, respiratory system and skin. It is also harmful if swallowed. And it may cause sensitization by skin contact. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccsc1Br
(2)InChI: InChI=1/C5H3BrO2S/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
(3)InChIKey: RVSXMPCELBYUSF-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H3BrO2S/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
(5)Std. InChIKey: RVSXMPCELBYUSF-UHFFFAOYSA-N