4-Fluoro-3-methylphenol

Base Information

• Chemical Name: 4-Fluoro-3-methylphenol
• CAS No.: 452-70-0
• Molecular Formula: C7H7FO
• Molecular Weight: 126.13
• Hs Code.: 29081990
• DSSTox Substance ID: DTXSID40372036
• Nikkaji Number: J710.505C
• Wikidata: Q72474733
• Mol file: 452-70-0.mol

Synonyms:4-Fluoro-3-methylphenol;452-70-0;4-Fluoro-m-cresol;3-METHYL-4-FLUOROPHENOL;Phenol, 4-fluoro-3-methyl-;MFCD00042296;4-Fluoro-3-Methylphenol98%;4-fluoro-3-methyl-phenol;3-methyl-4-fluoro phenol;4-fluoro-3-methyl phenol;SCHEMBL230046;4-Fluoro-3-methylphenol, 98%;DTXSID40372036;RVYGYYVGWSCWGY-UHFFFAOYSA-N;AKOS005255595;CS-W002208;PS-9178;SY019177;A1707;AM20060896;F0429;FT-0618485;EN300-68180;4-fluoro-3-methylphenol;3-Methyl-4-flluorophenol;Z1021305330

Chemical Property of 4-Fluoro-3-methylphenol

Chemical Property:

• Melting Point: 32 °C(lit.)
• Refractive Index: n20/D 1.515(lit.)
• Boiling Point: 205.8 °C at 760 mmHg
• PKA: 10.09±0.18(Predicted)
• Flash Point: 96.7 °C
• PSA: 20.23000
• Density: 1.164 g/cm³
• LogP: 1.83970
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.048093005
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98% ^*data from raw suppliers

4-Fluoro-3-methylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)O)F
• Uses: 4-Fluoro-3-methylphenol was used to detect the aromatic metabolites in methanogenic m-cresol-degrading consortium. It was also used in the preparation of 8-fluoronaphthoquinone via Friedel Crafts acylation reaction with maleic anhydride.

Technology Process of 4-Fluoro-3-methylphenol

There total 11 articles about 4-Fluoro-3-methylphenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.8%

2,5-difluoro-4-methyl-benzoic acid (103877-80-1) → 4-fluoro-3-methylphenol (452-70-0)

Guidance literature:

With water; lithium hydroxide; at 160 - 165 ℃; for 12h; Sealed tube;

Reference yield: 92.0%

4-amino-3-methylphenol (2835-99-6) → 4-fluoro-3-methylphenol (452-70-0)

Guidance literature:

With pyridine hydrogenfluoride; sodium nitrite; 1.) O deg C, 20 min, 2.) 140 deg C, 1 h;

DOI:10.1016/0040-4020(95)00867-8

Reference yield: 90.0%

4-fluoro-3-methylphenyl boronic acid (139911-27-6) → 4-fluoro-3-methylphenol (452-70-0)

Guidance literature:

With dihydrogen peroxide; In water; at 30 ℃; Green chemistry;

DOI:10.1016/j.tetlet.2019.06.018

upstream raw materials:

4-amino-3-methylphenol

3-methyl-phenol

4-fluoro-3-methylanisol

2-methyl-4-methoxyaniline

Downstream raw materials:

2-(4-fluoro-3-methylphenoxy)acetic acid

2-Benzyl-4-fluoro-5-methyl-phenol

4-(4-Fluoro-3-methyl-phenoxy)-benzaldehyde

2-(4-Fluoro-3-methyl-phenoxy)-5-nitro-thiophene