Benzoic acid,4-iodo-3-methyl-, methyl ester supplier

Name
METHYL 4-IODO-3-METHYLBENZOATE
EINECS
CAS No. 5471-81-8
Article Data9
CAS DataBase
Density 1.666 g/cm³
Solubility
Melting Point 59-62 °C
Formula C₉H₉IO₂
Boiling Point 299 °C at 760 mmHg
Molecular Weight 276.074
Flash Point 134.6 °C
Transport Information
Appearance
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 4-Iodo-3-methylbenzoicacid methyl ester;4-Iodo-m-toluic acid methyl ester;Methyl3-methyl-4-iodobenzoate;Methyl 4-iodo-3-methylbenzoate;NSC 28460;
PSA 26.30000
LogP 2.38620

Benzoic acid,4-iodo-3-methyl-, methyl ester Specification

The Benzoic acid,4-iodo-3-methyl-, methyl ester, with the CAS registry number 5471-81-8, is also known as 4-Iodo-3-methylbenzoic acid methyl ester. It belongs to the product categories of Aromatic Esters; Acids & Esters; Iodine Compounds. This chemical's molecular formula is C₉H₉IO₂ and molecular weight is 276.07. Its IUPAC name is called methyl 4-iodo-3-methylbenzoate. When you are using this chemical, please be cautious about it, you should avoid contacting it with skin and eyes.

Physical properties of Benzoic acid,4-iodo-3-methyl-, methyl ester: (1)ACD/LogP: 3.86; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.588; (5)Molar Refractivity: 55.75 cm³; (6)Molar Volume: 165.6 cm³; (7)Surface Tension: 43.4 dyne/cm; (8)Density: 1.666 g/cm³; (9)Flash Point: 134.6 °C; (10)Enthalpy of Vaporization: 53.89 kJ/mol; (11)Boiling Point: 299 °C at 760 mmHg; (12)Vapour Pressure: 0.00123 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)C(=O)OC)I
(2)InChI: InChI=1S/C9H9IO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
(3)InChIKey: HCSGWQGKCVQIRM-UHFFFAOYSA-N

Product Name

METHYL 4-IODO-3-METHYLBENZOATE

Benzoic acid,4-iodo-3-methyl-, methyl ester Specification

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