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2-Iodo-5-methylbenzoic acid

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Name

2-Iodo-5-methylbenzoic acid

EINECS 200-002-4
CAS No. 52548-14-8 Density 1.868 g/cm3
PSA 37.30000 LogP 2.29780
Solubility N/A Melting Point 122-124 °C
Formula C8H7IO2 Boiling Point 321.4 °C at 760 mmHg
Molecular Weight 262.047 Flash Point 148.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 52548-14-8 (2-IODO-5-METHYLBENZOIC ACID) Hazard Symbols IrritantXi
Synonyms

5-Methyl-2-iodobenzoic acid;

Article Data 18

2-Iodo-5-methylbenzoic acid Specification

The Benzoic acid,2-iodo-5-methyl-, with CAS registry number 52548-14-8, belongs to the following product categories: (1)Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; (2)Benzoic acid; (3)Acids & Esters; (4)Iodine Compounds. It has the systematic name of 2-iodo-5-methylbenzoic acid. And the chemical formula of this chemical is C8H7IO2.

Physical properties of Benzoic acid,2-iodo-5-methyl-: (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/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.17; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 50.91 cm3; (15)Molar Volume: 140.3 cm3; (16)Polarizability: 20.18×10-24cm3; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.867 g/cm3; (19)Flash Point: 148.2 °C; (20)Enthalpy of Vaporization: 59.45 kJ/mol; (21)Boiling Point: 321.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000124 mmHg at 25°C.

Uses of Benzoic acid,2-iodo-5-methyl-: it can be used to produce 2-iodoso-5-methyl-benzoic acid. This reaction will need reagent H2O.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,2-iodo-5-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1I)C
(2)InChI: InChI=1/C8H7IO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: INGWGCDYAJKXKP-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H7IO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: INGWGCDYAJKXKP-UHFFFAOYSA-N

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