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| CAS No.: | 5370-25-2 |
|---|---|
| Name: | 2-Acetyl-5-bromothiophene |
| Article Data: | 40 |
| Molecular Structure: | |
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| Formula: | C6H5BrOS |
| Molecular Weight: | 205.075 |
| Synonyms: | 1-(5-bromothiophen-2-yl)ethanone |
| EINECS: | 226-363-7 |
| Density: | 1.619 g/cm3 |
| Melting Point: | 94-96 °C(lit.) |
| Boiling Point: | 252.8 °C at 760 mmHg |
| Flash Point: | 123.3 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 36/37/39-26-22 |
| PSA: | 45.31000 |
| LogP: | 2.71320 |
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Specification
The 2-Acetyl-5-bromothiophene, with the CAS registry number 5370-25-2, is also known as 5-Bromo-2-thienyl methyl ketone. It belongs to the product categories of Thiophenes; Sulphur Derivatives; Thiophene & Benzothiophene; Pyridines. Its EINECS registry number is 226-363-7. This chemical's molecular formula is C6H5BrOS and molecular weight is 205.07. Its IUPAC name is called 1-(5-bromothiophen-2-yl)ethanone. This chemical is white to light yellow crystal powder.
Physical properties of 2-Acetyl-5-bromothiophene: (1)ACD/LogP: 2.25; (2)ACD/LogD (pH 5.5): 2.24; (3)ACD/LogD (pH 7.4): 2.24; (4)ACD/BCF (pH 5.5): 29.92; (5)ACD/BCF (pH 7.4): 29.92; (6)ACD/KOC (pH 5.5): 396.37; (7)ACD/KOC (pH 7.4): 396.37; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.583; (11)Molar Refractivity: 42.35 cm3; (12)Molar Volume: 126.6 cm3; (13)Surface Tension: 43.9 dyne/cm; (14)Density: 1.619 g/cm3; (15)Flash Point: 123.3 °C; (16)Enthalpy of Vaporization: 49.02 kJ/mol; (17)Boiling Point: 252.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0189 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-bromo-thiophene and acetic acid anhydride. This reaction will need reagent aqueous phosphoric acid.
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Uses of 2-Acetyl-5-bromothiophene: it can be used to produce 5-piperidin-1-yl-2-acetylthiophene at temperature of 150 °C. This reaction time is 2 hours.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, 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: CC(=O)C1=CC=C(S1)Br
(2)InChI: InChI=1S/C6H5BrOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
(3)InChIKey: IGBZCOWXSCWSHO-UHFFFAOYSA-N