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CAS No.: | 1798-06-7 |
---|---|
Name: | 4-Iodophenylacetic acid |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C8H7IO2 |
Molecular Weight: | 262.047 |
Synonyms: | Aceticacid, (p-iodophenyl)- (6CI,7CI,8CI);(p-Iodophenyl)acetic acid;2-(4-Iodophenyl)acetic acid;NSC 4614;acetic acid, 4-iodophenyl-; |
EINECS: | -0 |
Density: | 1.885 g/cm3 |
Melting Point: | 134-136 °C |
Boiling Point: | 323.7 °C at 760 mmHg |
Flash Point: | 149.5 °C |
Solubility: | Insoluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 37.30000 |
LogP: | 1.91830 |
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The Benzeneaceticacid, 4-iodo-, with the CAS registry number 1798-06-7, is also known as 4-Iodophenylacetic acid. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; API intermediates. This chemical's molecular formula is C8H7IO2 and formula weight is 262.04. What's more, its IUPAC name is 2-(4-iodophenyl)acetic acid.
Physical properties of Benzeneaceticacid, 4-iodo- are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): -0.56; (5)ACD/BCF (pH 5.5): 2.36; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.08; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 50.27 cm3; (15)Molar Volume: 138.9 cm3; (16)Surface Tension: 56.6 dyne/cm; (17)Density: 1.885 g/cm3; (18)Flash Point: 149.5 °C; (19)Enthalpy of Vaporization: 59.71 kJ/mol; (20)Boiling Point: 323.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000106 mmHg at 25°C.
Use of Benzeneaceticacid, 4-iodo-: it can be used to produce (p-Iodophenyl)acetic acid Dichloride at the temperature of 0°C. It will need reagent chlorine and solvent CHCl3 with reaction time of 10 min. The yield is about 86%.
When you are using this chemical, please be cautious about it as the following:
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. You should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CC(=O)O)I
(2)InChI: InChI=1S/C8H7IO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
(3)InChIKey: FJSHTWVDFAUNCO-UHFFFAOYSA-N