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2-Acetyl-3-bromothiophene

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Name

2-Acetyl-3-bromothiophene

EINECS -0
CAS No. 42877-08-7 Density 1.619 g/cm3
PSA 45.31000 LogP 2.71320
Solubility N/A Melting Point 38-41 °C
Formula C6H5BrOS Boiling Point 283.537 °C at 760 mmHg
Molecular Weight 205.075 Flash Point 125.279 °C
Transport Information UN 2810 Appearance N/A
Safety 26-37/39 Risk Codes 22-36-43
Molecular Structure Molecular Structure of 42877-08-7 (2-ACETYL-3-BROMOTHIOPHENE) Hazard Symbols ToxicT, IrritantXi, HarmfulXn
Synonyms

Ketone,3-bromo-2-thienyl methyl (6CI,7CI);1-(3-Bromo-2-thienyl)ethanone;3-Bromo-2-acetylthiophene;3-Bromo-2-thienyl methylketone;

Article Data 13

2-Acetyl-3-bromothiophene Specification

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

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