3-Iodo-4-methylbenzoic acid
- CAS No.
- 82998-57-0
- Chemical Name:
- 3-Iodo-4-methylbenzoic acid
- Synonyms
- 3-Iodo-4-Nitrobenzoic acid;AKOS BBB/227;TIMTEC-BB SBB003083;3-Iodo-p-toluicacid;3-Iodo-p-anisic acid;3-iodo-4-toluic acid;Ponatinib Impurity 7;Ponatinib Impurity 21;3-Iodo-p-toluicAcid>3-Iodo-4-methylbenzoiccacid
- CBNumber:
- CB8469472
- Molecular Formula:
- C8H7IO2
- Molecular Weight:
- 262.04
- MDL Number:
- MFCD00010392
- MOL File:
- 82998-57-0.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 210-212 °C (lit.) |
|---|---|
| Boiling point | 278.5°C (rough estimate) |
| Density | 1.7835 (estimate) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Soluble in methanol. |
| form | Solid |
| pka | 4.02±0.10(Predicted) |
| color | Off-White |
| Sensitive | Light Sensitive |
| BRN | 2436216 |
| InChI | InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11) |
| InChIKey | LDDHMKANNXWUAK-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(C)C(I)=C1 |
| CAS DataBase Reference | 82998-57-0(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-37/39-24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29163990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| NFPA 704 |
|
3-Iodo-4-methylbenzoic acid price More Price(82)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | I0707 | 3-Iodo-p-toluic Acid >98.0%(GC)(T) | 82998-57-0 | 5g | $96 | 2026-04-30 | Buy |
| TCI Chemical | I0707 | 3-Iodo-p-toluic Acid >98.0%(GC)(T) | 82998-57-0 | 25g | $293 | 2026-04-30 | Buy |
| Strem Chemicals | 06-0032 | 3-Iodo-4-methylbenzoic acid, min. 97.5% min.97.5% | 82998-57-0 | 25g | $73 | 2026-04-30 | Buy |
| Strem Chemicals | 06-0032 | 3-Iodo-4-methylbenzoic acid, min. 97.5% min.97.5% | 82998-57-0 | 100g | $185 | 2026-04-30 | Buy |
| Usbiological | 280924 | 3-Iodo-4-methylbenzoic acid Asreported | 82998-57-0 | 25g | $350 | 2026-06-03 | Buy |
3-Iodo-4-methylbenzoic acid Chemical Properties,Uses,Production
Chemical Properties
beige to brown crystalline powder
Uses
3-Iodo-4-methylbenzoic acid has been used in the preparation of unlabeled N-succinimidyl 4-guanidinomethyl-3-iodobenzoate (SGIMB) and boc-protected derivative of SGIMB (Boc-SGMIB).
Synthesis
90347-66-3
82998-57-0
The general procedure for the synthesis of 3-iodo-4-methylbenzoic acid from methyl 3-iodo-4-methylbenzoate was as follows: methyl 3-iodo-4-methylbenzoate (3 g, 10.9 mmol, 1 eq.) was dissolved in methanol (30 mL), followed by addition of sodium hydroxide (1.3 g, 32.7 mmol, 3 eq.) and water (15 mL). The reaction mixture was stirred at room temperature for 14 hours. Upon completion of the reaction, the solution was concentrated under reduced pressure and subsequently diluted with the addition of water. The pH of the reaction mixture was adjusted with concentrated hydrochloric acid to 3. The precipitated solid was collected by filtration and dried under reduced pressure to afford the target product 3-iodo-4-methylbenzoic acid in a yield of 2.7 g (96% yield). The 1H NMR (400 MHz, DMSO-d6) data of the product were as follows: δ 2.44 (s, 3H), 7.45 (d, J=8.00 Hz, 1H), 7.85 (d, J=3.18 Hz, 1H), 8.31 (s, 1H).
References
[1] Patent: WO2010/30538, 2010, A2. Location in patent: Page/Page column 197
[2] Patent: WO2011/112186, 2011, A1. Location in patent: Page/Page column 196
[3] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 17, p. 5004 - 5008
3-Iodo-4-methylbenzoic acid Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| ShangHai ZiCheng Med-Pharm Technology Company Ltd. | 021-56710790 18721468858 | wangyh@fudan.edu.cn | China | 26 | 55 |
| Wuhan Beileye Biomedical Technology Co., Ltd. | 18086118078 | 2696158611@qq.com | China | 4271 | 58 |
| Haohong (Qihe) Medical Technology Co., LTD | 0534-2152677 18660163165 | sale@inyelchem.com | China | 290 | 58 |
| 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 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| 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 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 |
View Lastest Price from 3-Iodo-4-methylbenzoic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-07-25 | 3-Iodo-4-methylbenzoic acid
82998-57-0
|
1kg | 98% | 1000kgs | Shaanxi Dideu New Materials Co. Ltd | ||
 |
2019-07-06 | 3-Iodo-4-methylbenzoic acid
82998-57-0
|
$2.00 | 1kg | 99% | Career Henan Chemical Co |
-
- 3-Iodo-4-methylbenzoic acid
82998-57-0
- $0.00
- 98%
- Shaanxi Dideu New Materials Co. Ltd
-
- 3-Iodo-4-methylbenzoic acid
82998-57-0
- $2.00
- 99%
- Career Henan Chemical Co
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