Benzoic acid,4-iodo-2-methoxy-, methyl ester supplier

Name
METHYL 4-IODO-2-METHOXYBENZOATE
EINECS
CAS No. 148490-97-5
Article Data10
CAS DataBase
Density 1.801 g/cm³
Solubility Insoluble in water.
Melting Point 44-46℃
Formula C₉H₉IO₃
Boiling Point 318 °C at 760 mmHg
Molecular Weight 292.073
Flash Point 146.1 °C
Transport Information
Appearance
Safety 36/37-45
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Methyl4-iodo-2-methoxybenzoate;
PSA 35.53000
LogP 2.08640

Benzoic acid,4-iodo-2-methoxy-, methyl ester Specification

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

Product Name

METHYL 4-IODO-2-METHOXYBENZOATE

Benzoic acid,4-iodo-2-methoxy-, methyl ester Specification

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