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
- Molecular Weight:
- 262.04
- MDL Number:
- MFCD00061093
- MOL File:
- 618-91-7.mol
- MSDS File:
- SDS
| 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 |
| InChI | 1S/C8H7IO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3 |
| InChIKey | NPXOIGSBRLCOSD-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cccc(I)c1 |
| CAS DataBase Reference | 618-91-7(CAS DataBase Reference) |
| FDA UNII | CSC7QU45T9 |
| 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) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS05 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H318 | |||||||||
| Precautionary statements | P280-P305+P351+P338 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi,N | |||||||||
| Risk Statements | 41-51/53 | |||||||||
| Safety Statements | 53-26-39-61 | |||||||||
| RIDADR | 3077 | |||||||||
| WGK Germany | 2 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | IRRITANT | |||||||||
| PackingGroup | Ⅲ | |||||||||
| HS Code | 29163900 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Dam. 1 | |||||||||
| NFPA 704 |
|
Methyl 3-iodobenzoate price More Price(39)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 706388 | Methyl 3-iodobenzoate 97% | 618-91-7 | 5g | $65.3 | 2026-04-30 | Buy |
| Sigma-Aldrich | 706388 | Methyl 3-iodobenzoate 97% | 618-91-7 | 25g | $271 | 2026-04-30 | Buy |
| Biosynth | FI70450 | 3-Iodobenzoic acid methyl ester | 618-91-7 | 0.25kg | $454.3 | 2026-06-04 | Buy |
| Biosynth | FI70450 | 3-Iodobenzoic acid methyl ester | 618-91-7 | 0.5kg | $778.8 | 2026-06-04 | Buy |
| Biosynth | FI70450 | 3-Iodobenzoic acid methyl ester | 618-91-7 | 1kg | $1168.2 | 2026-06-04 | Buy |
Methyl 3-iodobenzoate Chemical Properties, Uses, 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
Preparation Products
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| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Chembest Research Laboratories Limited | 021-20908456 | sales@BioChemBest.com | China | 5996 | 61 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Beijing Ouhe Technology Co., Ltd | 13552068683 13522913783 | 2355560935@qq.com | China | 11777 | 60 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Sichuan Kulinan Technology Co., Ltd | 400-1166-196 18981987031 | cdhxsj@163.com | China | 11674 | 57 |
| Shanghai Sunway Pharmaceutical Technology Co., Ltd | 13761987713 | hxzheng@sunwaypharm.cn | China | 8663 | 57 |
| Maya High Purity Chemicals | +86 (573) 82222445 (0)18006601000 452520369 | sales@maya-r.com | China | 11693 | 57 |
View Latest Price from Methyl 3-iodobenzoate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-08-25 | Methyl 3-iodobenzoate
618-91-7
|
$2.00-5.00 | 1kg | 99% | 100kg | ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD | |
 |
2026-03-20 | Methyl 3-iodobenzoate
618-91-7
|
$10.00 | 1KG | 99% | 10 mt | Hebei Chuanghai Biotechnology Co., Ltd | |
 |
2024-04-25 | Methyl 3-iodobenzoate
618-91-7
|
$30.00-100.00 | 1kg | 99.93% | 1000kg per week | Ouhuang Engineering Materials (Hubei) Co., Ltd |
-
- Methyl 3-iodobenzoate
618-91-7
- $2.00-5.00
- 99%
- ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
-
- Methyl 3-iodobenzoate
618-91-7
- $10.00
- 99%
- Hebei Chuanghai Biotechnology Co., Ltd
-
- Methyl 3-iodobenzoate
618-91-7
- $30.00-100.00
- 99.93%
- Ouhuang Engineering Materials (Hubei) Co., Ltd
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