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CAS No.: | 187657-92-7 |
---|---|
Name: | 1-(1-Benzofuran-3-yl)-2-bromo-1-ethanone |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C10H7BrO2 |
Molecular Weight: | 239.068 |
Synonyms: | 1-(Benzofuran-3-yl)-2-bromoethan-1-one; |
EINECS: | 260-718-7 |
Density: | 1.583 g/cm3 |
Melting Point: | 136 °C |
Boiling Point: | 306.782 °C at 760 mmHg |
Flash Point: | 139.337 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | C,Xi |
Risk Codes: | 36/37/38-34 |
Safety: | 26-36/37/39-45 |
PSA: | 30.21000 |
LogP: | 3.01040 |
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The Ethanone,1-(3-benzofuranyl)-2-bromo-, with the CAS registry number 187657-92-7, is also known as 1-(Benzofuran-3-yl)-2-bromoethan-1-one. It belongs to the product category of Furan & Benzofuran. This chemical's molecular formula is C10H7BrO2 and molecular weight is 239.0654. Its systematic name is called 1-(1-benzofuran-3-yl)-2-bromoethanone. This chemical is white to light yellow crystal powder.
Physical properties of Ethanone,1-(3-benzofuranyl)-2-bromo-: (1)ACD/LogP: 2.64; (2)ACD/LogD (pH 5.5): 2.64; (3)ACD/LogD (pH 7.4): 2.64; (4)ACD/BCF (pH 5.5): 59.96; (5)ACD/BCF (pH 7.4): 59.96; (6)ACD/KOC (pH 5.5): 651.92; (7)ACD/KOC (pH 7.4): 651.92; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.636; (11)Molar Refractivity: 54.15 cm3; (12)Molar Volume: 151 cm3; (13)Surface Tension: 50.3 dyne/cm; (14)Density: 1.582 g/cm3; (15)Flash Point: 139.3 °C; (16)Enthalpy of Vaporization: 54.73 kJ/mol; (17)Boiling Point: 306.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000755 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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)SMILES: BrCC(=O)c1c2ccccc2oc1
(2)InChI: InChI=1/C10H7BrO2/c11-5-9(12)8-6-13-10-4-2-1-3-7(8)10/h1-4,6H,5H2
(3)InChIKey: WVHFTONHSRLBGL-UHFFFAOYAF