Cas no 443-87-8 (3-Fluoro-2-methylphenol)
3-Fluoro-2-methylphenol Chemical and Physical Properties
Names and Identifiers
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- 3-Fluoro-2-methylphenol
- 2-Fluoro-6-hydroxytoluene
- 2-methyl-3-fluorophenol
- 3-Fluor-2-methyl-phenol
- 3-fluoro-2-methyl-phenol
- 6-Fluor-2-hydroxy-toluol
- o-Cresol,3-fluoro- (8CI)
- NSC 190309
- Phenol, 3-fluoro-2-methyl-
- NSC190309
- PubChem4121
- KSC494A1B
- OMGVVVBQKWNRQA-UHFFFAOYSA-N
- STL556572
- BBL102766
- SBB085650
- 3-Fluoro-2-methylphenol, AldrichCPR
- CM11760
- TRA0079775
- AM61553
- TF10024
- LS11582
- AS01397
- BR-2
- EN300-1615087
- 443-87-8
- fluorocresol
- 3-Fluoro-2-Methyl Phenol
- FT-0647474
- MFCD03788546
- Z838919472
- AC-3799
- NSC-190309
- A1697
- PS-9177
- DTXSID70307159
- SY023068
- AKOS005063621
- CS-W003104
- SCHEMBL910816
- DTXCID00258286
- DB-030921
- 675-090-3
-
- MDL: MFCD03788546
- Inchi: 1S/C7H7FO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3
- InChI Key: OMGVVVBQKWNRQA-UHFFFAOYSA-N
- SMILES: FC1=CC=CC(=C1C)O
Computed Properties
- Exact Mass: 126.04800
- Monoisotopic Mass: 126.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 94.9
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 2
- Topological Polar Surface Area: 20.2
Experimental Properties
- Density: 1.164
- Melting Point: 51-56°C
- Boiling Point: 188 oC
- Flash Point: 78 oC
- PSA: 20.23000
- LogP: 1.83970
- FEMA: 3295
3-Fluoro-2-methylphenol Security Information
- Signal Word:Warning
- Hazard Statement: H302
- Warning Statement: P264; P270; P301+P312; P330; P501
- Hazard Category Code: 22-37/38-41-51
- Safety Instruction: 26-39
-
Hazardous Material Identification:
- HazardClass:TOXIC
- Storage Condition:Store at room temperature
3-Fluoro-2-methylphenol Customs Data
- HS CODE:2908199090
- Customs Data:
China Customs Code:
2908199090Overview:
HS:2908199090 Derivatives of other phenols and phenolic alcohols containing only halogen substituents and their salts VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%
3-Fluoro-2-methylphenol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 036231-1g |
3-Fluoro-2-methylphenol |
443-87-8 | 98% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 036231-5g |
3-Fluoro-2-methylphenol |
443-87-8 | 98% | 5g |
£21.00 | 2022-03-01 | |
| Fluorochem | 036231-10g |
3-Fluoro-2-methylphenol |
443-87-8 | 98% | 10g |
£40.00 | 2022-03-01 | |
| Fluorochem | 036231-25g |
3-Fluoro-2-methylphenol |
443-87-8 | 98% | 25g |
£92.00 | 2022-03-01 | |
| Alichem | A014002128-250mg |
3-Fluoro-2-methylphenol |
443-87-8 | 97% | 250mg |
$484.80 | 2023-09-01 | |
| Alichem | A014002128-500mg |
3-Fluoro-2-methylphenol |
443-87-8 | 97% | 500mg |
$831.30 | 2023-09-01 | |
| Alichem | A014002128-1g |
3-Fluoro-2-methylphenol |
443-87-8 | 97% | 1g |
$1549.60 | 2023-09-01 | |
| Chemenu | CM252980-25g |
3-Fluoro-2-methylphenol |
443-87-8 | 95+% | 25g |
$118 | 2021-06-16 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | F828673-100g |
3-Fluoro-2-methylphenol |
443-87-8 | 97% | 100g |
¥2,243.70 | 2022-01-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-CQ427-250mg |
3-Fluoro-2-methylphenol |
443-87-8 | 98% | 250mg |
40CNY | 2021-05-08 |
3-Fluoro-2-methylphenol Suppliers
3-Fluoro-2-methylphenol Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
Additional information on 3-Fluoro-2-methylphenol
Professional Introduction to Compound with CAS No. 443-87-8 and Product Name: 3-Fluoro-2-methylphenol
3-Fluoro-2-methylphenol, identified by the Chemical Abstracts Service Number (CAS No.) 443-87-8, is a fluorinated aromatic compound that has garnered significant attention in the field of pharmaceutical chemistry and chemical biology due to its versatile structural properties and potential biological activities. This compound belongs to the class of phenolic derivatives, characterized by the presence of a hydroxyl (-OH) group attached to an aromatic ring, which is further modified by a fluorine atom at the 3-position and a methyl group at the 2-position. Such structural modifications often enhance the compound's interaction with biological targets, making it a valuable scaffold for drug discovery and development.
The fluorine atom at the 3-position of the phenol ring plays a crucial role in modulating the electronic properties and metabolic stability of the molecule. Fluorine is known for its ability to influence both lipophilicity and metabolic pathways, often improving drug bioavailability and resistance to enzymatic degradation. In contrast, the methyl group at the 2-position contributes to steric hindrance and can affect the orientation of the hydroxyl group in biological interactions. Together, these substituents create a unique pharmacophore that has been explored in various therapeutic areas.
Recent research in medicinal chemistry has highlighted the potential of 3-Fluoro-2-methylphenol as a precursor or intermediate in synthesizing novel therapeutic agents. Its structural motif is reminiscent of several bioactive molecules that have shown promise in preclinical and clinical studies. For instance, fluorinated phenols have been investigated for their antimicrobial, anti-inflammatory, and anticancer properties. The electron-withdrawing nature of the fluorine atom can enhance binding affinity to target proteins, while the hydroxyl group allows for further derivatization through esterification, etherification, or other functionalization strategies.
In particular, studies have demonstrated that derivatives of 3-Fluoro-2-methylphenol can exhibit inhibitory activity against certain enzymes involved in cancer cell proliferation. The combination of fluorine and methyl groups seems to optimize interactions with specific binding pockets on these enzymes, leading to potent inhibition. Additionally, computational modeling studies have suggested that this compound may have favorable pharmacokinetic profiles due to its balanced lipophilicity and metabolic stability.
The fluorine-containing aromatic ring in 3-Fluoro-2-methylphenol also makes it an attractive candidate for developing probes in chemical biology research. Fluorine atoms can be readily detected using techniques such as fluorometry or nuclear magnetic resonance (NMR) spectroscopy, allowing researchers to study protein-ligand interactions in real time. This has opened up new avenues for understanding molecular mechanisms in cells and tissues.
Moreover, synthetic methodologies for 3-Fluoro-2-methylphenol have been refined over recent years to improve yield and purity. Advances in catalytic processes and green chemistry principles have enabled more efficient production methods, reducing waste and energy consumption. These improvements are essential for scaling up synthesis while maintaining cost-effectiveness and environmental sustainability.
The pharmaceutical industry has taken note of these developments, with several companies exploring 3-Fluoro-2-methylphenol as part of their drug discovery pipelines. Early-stage clinical trials may be on the horizon for some derivatives showing encouraging preclinical results. The compound's unique structural features provide a strong foundation for designing molecules with improved efficacy and reduced side effects compared to existing treatments.
Beyond its pharmaceutical applications, 3-Fluoro-2-methylphenol has potential uses in material science and agrochemicals. Its aromatic structure can be incorporated into polymers or coatings to enhance durability or chemical resistance. In agrochemicals, fluorinated phenols may serve as intermediates for developing novel pesticides or herbicides with improved environmental profiles.
In conclusion, 3-Fluoro-2-methylphenol (CAS No. 443-87-8) represents a promising compound with diverse applications across multiple industries. Its unique structural features—comprising a fluorinated aromatic ring with a hydroxyl group—make it an excellent scaffold for drug discovery, chemical biology research, and material science innovations. As research continues to uncover new applications and synthetic strategies for this compound, its importance is likely to grow further within both academic and industrial settings.
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