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2-Iodophenylacetic Acid

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Name

2-Iodophenylacetic Acid

EINECS -0
CAS No. 18698-96-9 Density 1.885 g/cm3
PSA 37.30000 LogP 1.91830
Solubility N/A Melting Point 116-119 °C(lit.)
Formula C8H7IO2 Boiling Point 344.5 °C at 760 mmHg
Molecular Weight 262.047 Flash Point 162.1 °C
Transport Information N/A Appearance Cream powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 18698-96-9 (2-Iodophenylacetic acid) Hazard Symbols IrritantXi
Synonyms

Aceticacid, (o-iodophenyl)- (6CI,7CI,8CI);(2-Iodophenyl)acetic acid;2-(2-Iodophenyl)acetic acid;o-Iodophenylacetic acid;

Article Data 20

2-Iodophenylacetic Acid Specification

The systematic name of this product is (2-iodophenyl)acetic acid. With the CAS registry number 18698-96-9, it is also named as benzeneacetic acid, 2-iodo-; acetic acid, 2-iodophenyl-. The product's categories are aromatic phenylacetic acids and derivatives, phenylacetic acid, miscellaneous, carbonyl compounds and carboxylic acids. 

The 2-Iodophenylacetic Acid is cream powder which is sensitive to light. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. 

The 2-Iodophenylacetic Acid can be obtained by (2-iodo-phenyl)-acetonitrile.
 

This chemical can be used in many organic synthesis. For example: 1. It reacts with 4-dimethylamino-thiophenol to get [2-(4-dimethylamino-phenylsulfanyl)-phenyl]-acetic acid.
 
2. It also can react with m-fluorobenzenethiol to obtain [2-(3-fluoro-phenylsulfanyl)-phenyl]-acetic acid.
 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): -0.64; (5)ACD/BCF (pH 5.5): 1.86; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.31; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.643; (13)Molar Refractivity: 50.27 cm3; (14)Molar Volume: 138.9 cm3; (15)Polarizability: 19.92×10-24 cm3; (16)Surface Tension: 56.6 dyne/cm; (17)Enthalpy of Vaporization: 62.1 kJ/mol; (18)Vapour Pressure: 2.5E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure. SMILES: Ic1ccccc1CC(=O)O; InChI: InChI=1/C8H7IO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11); InChIKey: IUHXGZHKSYYDIL-UHFFFAOYAF. 2-Iodophenylacetic Acid has many suppliers, such as Chemik Co., Ltd., Changzhou Ilhang Fine Chemical Co., Ltd. and Changzhou Xixialong International Co., Ltd..

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