Cas no 52107-87-6 (4-Iodo-3-methylbenzoic acid)
4-Iodo-3-methylbenzoic acid is a halogenated aromatic carboxylic acid with a molecular formula of C?H?IO?. This compound features both an iodine substituent and a methyl group on the benzene ring, making it a versatile intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura or Ullmann-type couplings. The presence of the carboxylic acid group allows for further functionalization, enabling applications in pharmaceutical and agrochemical research. Its high purity and stability under standard conditions ensure reliable performance in synthetic workflows. The compound is typically supplied as a white to off-white crystalline solid, with solubility in polar organic solvents like ethanol or dimethyl sulfoxide (DMSO).
4-Iodo-3-methylbenzoic acid structure
Product Name:4-Iodo-3-methylbenzoic acid
CAS No:52107-87-6
MF:C8H7IO2
MW:262.044454813004
MDL:MFCD00270113
CID:366497
PubChem ID:1517322
Update Time:2025-06-08
4-Iodo-3-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Iodo-3-methylbenzoic acid
- Benzoic acid,4-iodo-3-methyl-
- EN300-68161
- MFCD00270113
- 52107-87-6
- Z239685242
- CS-0099438
- AKOS000149475
- SCHEMBL498268
- FT-0658138
- 4-iodo-3-methyl-benzoic acid
- AMY14641
- AC-7744
- J-515557
- DTXSID00363985
- FS-3947
- 3-methyl-4-iodobenzoic acid
- 4-Iodo-3-MethylbenzoicAcid
- DKMIWBBIVNNAMG-UHFFFAOYSA-N
- A7658
- STK681664
-
- MDL： MFCD00270113
- Inchi： 1S/C8H7IO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
- InChI Key： DKMIWBBIVNNAMG-UHFFFAOYSA-N
- SMILES： IC1=CC=C(C(=O)O)C=C1C
Computed Properties
- Exact Mass: 261.94900
- Monoisotopic Mass: 261.94908g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 158
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.867±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 223-224 oC
- Boiling Point: 327.7 ℃ at 760 mmHg
- Solubility: Very slightly soluble (0.47 g/l) (25 o C),
- PSA: 37.30000
- LogP: 2.29780
4-Iodo-3-methylbenzoic acid Security Information
- Hazard Category Code： 36/37/38
- Safety Instruction： S26; S36/37/39
- Safety Term：S26-S36/37/39
- Risk Phrases：R36/37/38
- HazardClass：LIGHT SENSITIVE
4-Iodo-3-methylbenzoic acid Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
4-Iodo-3-methylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | I184950-5g |
4-Iodo-3-methylbenzoic acid |
52107-87-6 | 98% | 5g |
￥205.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | I184950-25g |
4-Iodo-3-methylbenzoic acid |
52107-87-6 | 98% | 25g |
￥820.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | I184950-100g |
4-Iodo-3-methylbenzoic acid |
52107-87-6 | 98% | 100g |
￥2313.90 | 2023-09-02 | |
| Fluorochem | 018745-5g |
4-Iodo-3-methylbenzoic acid |
52107-87-6 | 98% | 5g |
￡21.00 | 2022-03-01 | |
| Fluorochem | 018745-25g |
4-Iodo-3-methylbenzoic acid |
52107-87-6 | 98% | 25g |
￡83.00 | 2022-03-01 | |
| Fluorochem | 018745-100g |
4-Iodo-3-methylbenzoic acid |
52107-87-6 | 98% | 100g |
￡310.00 | 2022-03-01 | |
| Chemenu | CM243561-100g |
4-Iodo-3-methylbenzoic acid |
52107-87-6 | 95+% | 100g |
$294 | 2021-06-16 | |
| TRC | I708640-100mg |
4-Iodo-3-methylbenzoic acid |
52107-87-6 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | I708640-250mg |
4-Iodo-3-methylbenzoic acid |
52107-87-6 | 250mg |
$75.00 | 2023-05-18 | ||
| TRC | I708640-500mg |
4-Iodo-3-methylbenzoic acid |
52107-87-6 | 500mg |
$87.00 | 2023-05-18 |
4-Iodo-3-methylbenzoic acid Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:52107-87-6)4-Iodo-3-methylbenzoic acid
Order Number:A7658
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:04
Price ($):198.0
Email:[email protected]
4-Iodo-3-methylbenzoic acid Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:52107-87-6)4-Iodo-3-methylbenzoic acid
Purity:99%
Quantity:100g
Price ($):198.0