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CAS No.: | 2142-70-3 |
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Name: | 2'-Iodoacetophenone |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C8H7IO |
Molecular Weight: | 246.047 |
Synonyms: | NSC 46625;o-Iodoacetophenone;2-Acetylphenyl iodide;Acetophenone,2'-iodo- (6CI,7CI,8CI); |
Density: | 1.72 g/cm3 |
Boiling Point: | 268.2 °C at 760 mmHg |
Flash Point: | 116 °C |
Appearance: | clear yellow liquid |
Hazard Symbols: | C |
Risk Codes: | 36/38 |
Safety: | 26-36 |
PSA: | 17.07000 |
LogP: | 2.49380 |
The 2'-Iodoacetophenone, with the CAS registry number 2142-70-3, is also known as o-Iodoacetophenone. Its molecular formula is C8H7IO and its molecular weight is 246.04. Additionally, it belongs to the categories Aromatic Acetophenones & Derivatives (substituted); Adehydes, Acetals & Ketones; Iodine Compounds; C7 to C8; Carbonyl Compounds; Ketones. However, it should be kept away from the CO, CO2, HI and light.
Other characteristics of the 2'-Iodoacetophenone can be summarised as followings: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.603; (8)Molar Refractivity: 49.18 cm3; (9)Molar Volume: 143 cm3; (10)Polarizability: 19.49×10-24cm3; (11)Surface Tension: 43.8 dyne/cm; (12)Density: 1.72 g/cm3; (13)Flash Point: 116 °C; (14)Enthalpy of Vaporization: 50.63 kJ/mol; (15)Boiling Point: 268.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00779 mmHg at 25°C.
Uses of the 2'-Iodoacetophenone: It could react with N-methyl-aniline to obtain the 1-[2-(methyl-phenyl-amino)-phenyl]-ethanone. This reaction needs the reagent of K2CO3, Cu, and the solvent of dibutyl ether. The yield is 93 %. In addition, this reaction should be taken for 24 hours by heating.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccccc1I)C
2.InChI: InChI=1/C8H7IO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
3.InChIKey: XDXCBCXNCQGZPG-UHFFFAOYAT