4-Iodo-3-methylbenzoic acid methyl ester
[CAS# 5471-81-8]

Identification

• Name: 4-Iodo-3-methylbenzoic acid methyl ester
• Synonyms: 4-Iodo-m-toluic acid methyl ester; Methyl 3-methyl-4-iodobenzoate; Methyl 4-iodo-3-methylbenzoate; NSC 28460
• Molecular Formula: C₉H₉IO₂
• Molecular Weight: 276.07
• CAS Registry Number: 5471-81-8
• EC Number: 676-595-1

Properties

• Solubility: Very slightly soluble (0.3 g/L) (25 ºC), Calc.^*
• Density: 1.666±0.06 g/cm³ (20 ºC 760 Torr), Calc.^*
• Melting point: 56-58 ºC^**

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2016 ACD/Labs)

^** Blaszykowski, Christophe; Organic Letters 2006, V8(10), P2043-2045.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Eye irritation	Eye Irrit.	2A	H319
Specific target organ toxicity - single exposure	STOT SE	3	H335
Skin irritation	Skin Irrit.	2	H315