Methyl 3-iodobenzoate
- Product Name
- Methyl 3-iodobenzoate
- CAS No.
- 618-91-7
- Chemical Name
- Methyl 3-iodobenzoate
- Synonyms
- RARECHEM AL BF 0709;3-Iodomethylbenzoate;Methyl m-iodobenzoate;METHYL 3-IODOBENZOATE;Mehtyl-3-iodobenzoate;2-iodo-3-methylbenzoate;METHYL 3-IODOBENZOATE, 98+%;Methyl 3-Iodobenzoate, 97+%;3-iodo-benzoicacimethylester;3-IODOBENZOIC ACID METHYL ESTER
- CBNumber
- CB0402015
- Molecular Formula
- C8H7IO2
- Formula Weight
- 262.04
- MOL File
- 618-91-7.mol
Methyl 3-iodobenzoate Property
- Melting point:
- 46-50 °C
- Boiling point:
- 277°C (rough estimate)
- Density
- 1.7835 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,2-8°C
- form
- solid
- color
- Yellow-brown
- InChIKey
- NPXOIGSBRLCOSD-UHFFFAOYSA-N
- CAS DataBase Reference
- 618-91-7(CAS DataBase Reference)
- NIST Chemistry Reference
- Benzoic acid, 3-iodo-, methyl ester(618-91-7)
- EPA Substance Registry System
- Benzoic acid, 3-iodo-, methyl ester (618-91-7)
Safety
- Hazard Codes
- Xi,N
- Risk Statements
- 41-51/53
- Safety Statements
- 53-26-39-61
- RIDADR
- 3077
- WGK Germany
- 2
- HazardClass
- IRRITANT
- PackingGroup
- Ⅲ
- HS Code
- 29163900
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H318Causes serious eye damage
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 706388
- Product name
- Methyl 3-iodobenzoate
- Purity
- 97%
- Packaging
- 5g
- Price
- $61.3
- Updated
- 2025/07/31
- Product number
- 706388
- Product name
- Methyl 3-iodobenzoate
- Purity
- 97%
- Packaging
- 25g
- Price
- $254
- Updated
- 2025/07/31
- Product number
- M262658
- Product name
- Methyl 3-iodobenzoate
- Packaging
- 100mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- 012668
- Product name
- Methyl 3-iodobenzoate
- Purity
- 98%
- Packaging
- 5g
- Price
- $11
- Updated
- 2021/12/16
- Product number
- M656
- Product name
- Methyl 3-iodobenzoate
- Packaging
- 1g
- Price
- $14
- Updated
- 2021/12/16
Methyl 3-iodobenzoate Chemical Properties,Usage,Production
Chemical Properties
Pale yellow crystals
Synthesis
67-56-1
618-51-9
618-91-7
The general procedure for the synthesis of methyl 3-iodobenzoate from methanol and 3-iodobenzoic acid was as follows: 3-iodobenzoic acid (50 g, 0.20 mol) was dissolved in 300 mL of methanol, followed by the addition of 1 mL of concentrated sulfuric acid as a catalyst. The reaction mixture was heated to reflux at 80 °C for 24 hours. During the reaction, the water generated from the reaction was removed by distillation and methanol was replenished twice to maintain the reaction volume. The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming the completion of the reaction, the solvent was removed by distillation under reduced pressure. 600 mL of ether was added to the residue and stirred overnight to induce the product to precipitate as a white precipitate. The product was separated by filtration and washed with cold water to afford methyl 3-iodobenzoate (51.3 g, 97% yield) as a white solid. NMR hydrogen spectrum (300MHz, CDCl3): δ8.34 (s, 1H), 7.97 (d, J=7.5Hz, 1H), 7.85 (d, J=7.2Hz, 1H), 7.15 (td, J1=7.8Hz, J2=2.7Hz, 1H), 3.89 (s, 3H). Gas chromatography-mass spectrometry (GC-MS) analysis: the calculated value of the molecular ion peak (m/z) C8H7IO2 was 262.0 and the measured value was 262.0.
References
[1] Journal of Organic Chemistry, 2012, vol. 77, # 7, p. 3197 - 3214
[2] Patent: WO2014/11477, 2014, A1. Location in patent: Page/Page column 29; 30
[3] Patent: WO2010/149620, 2010, A1. Location in patent: Page/Page column 45
[4] Journal of Medicinal Chemistry, 2012, vol. 55, # 22, p. 9562 - 9575
[5] Patent: JP5725475, 2015, B2. Location in patent: Paragraph 0028; 0029
Methyl 3-iodobenzoate Preparation Products And Raw materials
Raw materials
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View Lastest Price from Methyl 3-iodobenzoate manufacturers
- Product
- Methyl 3-iodobenzoate 618-91-7
- Price
- US $2.00-5.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2025-07-11
- Product
- Methyl 3-iodobenzoate 618-91-7
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10 mt
- Release date
- 2024-11-08
- Product
- Methyl 3-iodobenzoate 618-91-7
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 98.4%
- Supply Ability
- 100 tons
- Release date
- 2022-02-20