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2'-Iodoacetophenone

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Name

2'-Iodoacetophenone

EINECS N/A
CAS No. 2142-70-3 Density 1.72 g/cm3
PSA 17.07000 LogP 2.49380
Solubility N/A Melting Point N/A
Formula C8H7IO Boiling Point 268.2 °C at 760 mmHg
Molecular Weight 246.047 Flash Point 116 °C
Transport Information N/A Appearance clear yellow liquid
Safety 26-36 Risk Codes 36/38
Molecular Structure Molecular Structure of 2142-70-3 (2'-Iodoacetophenone) Hazard Symbols CorrosiveC
Synonyms

NSC 46625;o-Iodoacetophenone;2-Acetylphenyl iodide;Acetophenone,2'-iodo- (6CI,7CI,8CI);

Article Data 30

2'-Iodoacetophenone Specification

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.

the 2'-Iodoacetophenone could react with N-methyl-aniline to obtain the 1-[2-(methyl-phenyl-amino)-phenyl]-ethanone

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

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