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| CAS No.: | 108078-14-4 |
|---|---|
| Name: | 2-IODO-3-METHYLBENZOIC ACID |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C8H7IO2 |
| Molecular Weight: | 262.047 |
| Synonyms: | 2-Iodo-3-methylbenzoic acid;2-Iodo-m-toluic acid; |
| Density: | 1.868 g/cm3 |
| Melting Point: | 150-153 °C(lit.) |
| Boiling Point: | 323.512 °C at 760 mmHg |
| Flash Point: | 149.455 °C |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| PSA: | 37.30000 |
| LogP: | 2.29780 |
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Specification
The Benzoic acid,2-iodo-3-methyl-, with the CAS registry number 108078-14-4, is also known as 2-Iodo-m-toluic acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Acids & Esters; Iodine Compounds; C8; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C8H7IO2 and molecular weight is 262.04. What's more, its systematic name is 2-iodo-3-methylbenzoic acid. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from strong oxides.
Physical properties of Benzoic acid,2-iodo-3-methyl- are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): -0.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 2.17; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.645; (13)Molar Refractivity: 50.91 cm3; (14)Molar Volume: 140.3 cm3; (15)Surface Tension: 55.3 dyne/cm; (16)Density: 1.867 g/cm3; (17)Flash Point: 149.5 °C; (18)Enthalpy of Vaporization: 59.69 kJ/mol; (19)Boiling Point: 323.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000107 mmHg at 25°C.
Uses of Benzoic acid,2-iodo-3-methyl-: it can be used to produce 2-iodo-3-methyl-benzoic acid methyl ester by heating. It will need reagent hydrogen chloride with the reaction time of 1 hour. The yield is about 94%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. You should not breathe dust. When using it, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(C(=O)O)cccc1C
(2)InChI: InChI=1S/C8H7IO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: PZUXUOZSSYKAMX-UHFFFAOYSA-N