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CAS No.: | 148490-97-5 |
---|---|
Name: | METHYL 4-IODO-2-METHOXYBENZOATE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H9IO3 |
Molecular Weight: | 292.073 |
Synonyms: | Methyl4-iodo-2-methoxybenzoate; |
Density: | 1.801 g/cm3 |
Melting Point: | 44-46℃ |
Boiling Point: | 318 °C at 760 mmHg |
Flash Point: | 146.1 °C |
Solubility: | Insoluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 36/37-45 |
PSA: | 35.53000 |
LogP: | 2.08640 |
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The Benzoic acid,4-iodo-2-methoxy-, methyl ester, with the CAS registry number 148490-97-5, is also known as 4-Iodo-2-methoxy-benzoic acid methyl ester. It belongs to the product categories of Aromatic Esters; Benzoic Acid; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Iodine Compounds. This chemical's molecular formula is C9H9IO3 and molecular weight is 292.07. Its systematic name is called methyl 4-iodo-2-methoxybenzoate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzoic acid,4-iodo-2-methoxy-, methyl ester: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 5.5): 3.02; (3)ACD/LogD (pH 7.4): 3.02; (4)ACD/BCF (pH 5.5): 116.87; (5)ACD/BCF (pH 7.4): 116.87; (6)ACD/KOC (pH 5.5): 1051.2; (7)ACD/KOC (pH 7.4): 1051.2; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.578; (11)Molar Refractivity: 57.61 cm3; (12)Molar Volume: 173.4 cm3; (13)Surface Tension: 43.1 dyne/cm; (14)Density: 1.684 g/cm3; (15)Flash Point: 155 °C; (16)Enthalpy of Vaporization: 57.55 kJ/mol; (17)Boiling Point: 332.7 °C at 760 mmHg; (18)Vapour Pressure: 0.000143 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(I)ccc1C(=O)OC
(2)InChI: InChI=1/C9H9IO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
(3)InChIKey: MCNOTXROWOGSGU-UHFFFAOYAJ