Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Fluoro-3-methylphenol |
EINECS | N/A |
CAS No. | 452-70-0 | Density | 1.164 g/cm3 |
PSA | 20.23000 | LogP | 1.83970 |
Solubility | N/A | Melting Point |
32 °C(lit.) |
Formula | C7H7FO | Boiling Point | 205.8 °C at 760 mmHg |
Molecular Weight | 126.13 | Flash Point | 96.7 °C |
Transport Information | UN 1759 | Appearance | N/A |
Safety | 26-37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
m-Cresol,4-fluoro- (6CI,8CI);2-Fluoro-5-hydroxytoluene;3-Methyl-4-fluorophenol;4-Fluoro-m-cresol; |
Article Data | 8 |
The Phenol,4-fluoro-3-methyl- with CAS registry number of 452-70-0 is also known as 3-Methyl-4-fluorophenol. The IUPAC name is 4-Fluoro-3-methylphenol. It belongs to product categories of Aromatic Phenols; Phenol&Thiophenol&Mercaptan; Fluorine Compounds; Phenols; Organic Building Blocks; Oxygen Compounds. In addition, the formula is C7H7FO and the molecular weight is 126.13. This chemical should be sealed in a ventilated and dry place away from oxidizing agents.
Physical properties about Phenol,4-fluoro-3-methyl- are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 29.16; (5)ACD/BCF (pH 7.4): 29.1; (6)ACD/KOC (pH 5.5): 389.18; (7)ACD/KOC (pH 7.4): 388.39; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.52; (12)Molar Refractivity: 32.95 cm3; (13)Molar Volume: 108.3 cm3; (14)Surface Tension: 36.9 dyne/cm; (15)Density: 1.164 g/cm3; (16)Flash Point: 96.7 °C; (17)Enthalpy of Vaporization: 46 kJ/mol; (18)Boiling Point: 205.8 °C at 760 mmHg; (19)Vapour Pressure: 0.172 mmHg at 25 °C.
Preparation of Phenol,4-fluoro-3-methyl-: it is prepared by reaction of 4-amino-3-methyl-phenol. The reaction needs reagents HF-pyridine, NaNO2 at 0 °C for 20 minutes and then at 140 °C for 1 hour. The yield is about 92%.
Uses of Phenol,4-fluoro-3-methyl-: it is used to produce 4,4-difluoro-3-methyl-cyclohexa-2,5-dienone. The reaction occurs with reagents F-TEDA, BF4 and solvent acetonitrile at the temperature of 70 °C for 18 hours. The yield is about 32%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=C(C=CC(=C1)O)F
2. InChI: InChI=1S/C7H7FO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
3. InChIKey: RVYGYYVGWSCWGY-UHFFFAOYSA-N