2-Acetyl-3-bromothiophene (42877-08-7)

The 2-Acetyl-3-bromothiophene, with the CAS registry number 42877-08-7, is also known as 1-(3-Bromo-2-thienyl)ethanone and 1-(3-Bromo-2-thienyl)-1-ethanone. It belongs to the product category of Thiophene&Benzothiophene. This chemical's molecular formula is C₆H₅BrOS and molecular weight is 205.07. What's more, both its IUPAC name and systematic name are the same which is called 1-(3-Bromothiophen-2-yl)ethanone.

Physical properties about this chemical are: (1) ACD/LogP: 1.82; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.82; (4) ACD/LogD (pH 7.4): 1.82; (5) ACD/BCF (pH 5.5): 14.15; (6) ACD/BCF (pH 7.4): 14.15; (7) ACD/KOC (pH 5.5): 231.88; (8) ACD/KOC (pH 7.4): 231.88; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 45.31 Å²; (13) Index of Refraction: 1.583; (14) Molar Refractivity: 42.35 cm³; (15) Molar Volume: 126.6 cm³; (16) Surface Tension: 43.9 dyne/cm; (17) Density: 1.619 g/cm³; (18) Flash Point: 125.3 °C; (19) Enthalpy of Vaporization: 52.25 kJ/mol; (20) Boiling Point: 283.5 °C at 760 mmHg; (21) Vapour Pressure: 0.00314 mmHg at 25 °C; (22) Melting Point: 38-41 °C.

When you are dealing with the 2-Acetyl-3-bromothiophene, you should be very careful. This chemical is irritating to eyes and may cause inflammation to the skin or other mucous membranes. Besides, this chemical is toxic that at low levels may cause damage to your health. Therefore, you should wear suitable gloves and eye/face protection and in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1sccc1Br)C
(2) InChI: InChI=1/C6H5BrOS/c1-4(8)6-5(7)2-3-9-6/h2-3H,1H3
(3) InChIKey: ZUXPELAHJQSZTE-UHFFFAOYAP