The 1H-Indole-2-carboxylicacid, 3-bromo-, with the CAS registry number 28737-33-9, is also known as 3-Bromoindole-2-carboxylic acid. This chemical's molecular formula is C9H6BrNO2 and molecular weight is 240.05. Its IUPAC name is called 3-bromo-1H-indole-2-carboxylic acid. The product should be sealed and stored in cool and dry place.
Physical properties of 1H-Indole-2-carboxylicacid, 3-bromo-: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 0.328; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.757; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.749; (11)Molar Refractivity: 53.149 cm3; (12)Molar Volume: 130.586 cm3; (13)Surface Tension: 74.255 dyne/cm; (14)Density: 1.838 g/cm3; (15)Flash Point: 227.211 °C; (16)Enthalpy of Vaporization: 74.95 kJ/mol; (17)Boiling Point: 452.081 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=C(N2)C(=O)O)Br
(2)InChI: InChI=1S/C9H6BrNO2/c10-7-5-3-1-2-4-6(5)11-8(7)9(12)13/h1-4,11H,(H,12,13)
(3)InChIKey: KOTZNHLNBDTYMS-UHFFFAOYSA-N
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