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| CAS No.: | 533-58-4 |
|---|---|
| Name: | 2-Iodophenol |
| Article Data: | 97 |
| Molecular Structure: | |
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| Formula: | C6H5IO |
| Molecular Weight: | 220.01 |
| Synonyms: | Phenol,o-iodo- (6CI,8CI);NSC 9245;o-Iodophenol; |
| EINECS: | 208-569-9 |
| Density: | 2.001 g/cm3 |
| Melting Point: | 37-40 °C(lit.) |
| Boiling Point: | 187.2 °C at 760 mmHg |
| Flash Point: | 67 °C |
| Solubility: | slightly soluble in water |
| Appearance: | Colorless needle-like crystals |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 20.23000 |
| LogP: | 1.99680 |
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Specification
The IUPAC name of this product is 2-iodophenol. With the CAS registry number 533-58-4, it is also named as 2-Jodfenol; 4-06-00-01070 (Beilstein Handbook Reference); BRN 1855300; Phenol, o-iodo-. The product's categories are aromatic phenols, phenol & thiophenol & mercaptan, iodine compounds, phenyls & phenyl-het, organic building blocks and oxygen compounds.
The 2-Iodophenol is colorless needle-like crystals which is sensitive to light. It is slightly soluble in water and soluble in ethanol, ether and other organic solvents. In addition, it is stable and incompatible with strong oxidizing agents. This chemical is used as a disinfectant or organic synthesis intermediate.
The 2-Iodophenol is harmful by inhalation, in contact with skin and if swallowed. 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 and eye/face protection.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 60.76; (6)ACD/BCF (pH 7.4): 56.52; (7)ACD/KOC (pH 5.5): 657.94; (8)ACD/KOC (pH 7.4): 612.05; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.669; (12)Molar Refractivity: 41.04 cm3; (13)Molar Volume: 109.9 cm3; (14)Polarizability: 16.27×10-24 cm3; (15)Surface Tension: 53.9 dyne/cm; (16)Enthalpy of Vaporization: 44.08 kJ/mol; (17)Vapour Pressure: 0.463 mmHg at 25°C; (18)Tautomer Count: 3; (19)Exact Mass: 219.938508; (20)MonoIsotopic Mass: 219.938508; (21)Topological Polar Surface Area: 20.2; (22)Heavy Atom Count: 8.
People can use the following data to convert to the molecule structure. SMILES: Ic1ccccc1O; InChI: InChI=1/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H; InChIKey: KQDJTBPASNJQFQ-UHFFFAOYAN. 2-Iodophenol has many suppliers, such as BenzChem Co., Ltd., Changzhou Finechemical Insititute and Hangzhou Yilong Chemical Industry Co., Ltd..
The following is the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | subcutaneous | 4gm/kg (4000mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS | Revue Medicale de la Suisse Romande. Vol. 16, Pg. 449, 1896. |