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| CAS No.: | 19094-56-5 |
|---|---|
| Name: | 2-Chloro-5-iodobenzoic acid |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H4ClIO2 |
| Molecular Weight: | 282.465 |
| Synonyms: | 5-Iodo-2-chlorobenzoic acid; |
| EINECS: | -0 |
| Density: | 2.077 g/cm3 |
| Melting Point: | 157-161 °C(lit.) |
| Boiling Point: | 353.12 °C at 760 mmHg |
| Flash Point: | 167.361 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 T, N, Xi
|
| Risk Codes: | 25-41-50/53 |
| Safety: | 26-39-45-60-61 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 37.30000 |
| LogP: | 2.64280 |
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Specification
The 2-Chloro-5-iodobenzoic acid, with the CAS registry number 19094-56-5, is also known as Benzoic acid, 2-chloro-5-iodo-. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Phenylacetic Acid; Acids & Esters; Chlorine Compounds; Iodine Compounds; C7; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C7H4ClIO2 and molecular weight is 282.46. What's more, its IUPAC name is the same with its product name. It should be kept in a ventilated, dry and sealed place.
Physical properties about 2-Chloro-5-iodobenzoic acid are: (1)ACD/LogP: 3.155; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.20; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 50.985 cm3; (15)Molar Volume: 135.986 cm3; (16)Polarizability: 20.212×10-24cm3; (17)Surface Tension: 61.54 dyne/cm; (18)Density: 2.077 g/cm3; (19)Flash Point: 167.361 °C; (20)Enthalpy of Vaporization: 63.105 kJ/mol; (21)Boiling Point: 353.12 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical can cause damage to health at low levels and it is toxic if swallowed. It may cause inflammation to the skin or other mucous membranes and may present an immediate or delayed danger to one or more components of the environment. In addition, it is very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should wear eye/face protection. This material and its container must be disposed of as hazardous waste. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(I)ccc1Cl
(2) InChI: InChI=1S/C7H4ClIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
(3) InChIKey: GEBYSTBEDVQOTK-UHFFFAOYSA-N