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CAS No.: | 1583-83-1 |
---|---|
Name: | 4-(DIFLUOROMETHOXY)TOLUENE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C8H8F2O |
Molecular Weight: | 158.148 |
Synonyms: | Anisole, a,a-difluoro-p-methyl- (6CI,7CI,8CI);Difluoromethyl4-methylphenyl ether; |
EINECS: | 216-434-0 |
Density: | 1.121 g/cm3 |
Melting Point: | 165-167 °C |
Boiling Point: | 167.4 °C at 760 mmHg |
Flash Point: | 61.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 9.23000 |
LogP: | 2.59640 |
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The Benzene,1-(difluoromethoxy)-4-methyl- is an organic compound with the formula C8H8F2O. The IUPAC name of this chemical is 1-(Difluoromethoxy)-4-methylbenzene. With the CAS registry number 1583-83-1, it is also named as Difluoromethyl 4-methylphenyl ether. Besides, its molecular weight is 158.15.
Physical properties about Benzene,1-(difluoromethoxy)-4-methyl- are: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 2.77; (3)ACD/LogD (pH 7.4): 2.77; (4)ACD/BCF (pH 5.5): 75.47; (5)ACD/BCF (pH 7.4): 75.47; (6)ACD/KOC (pH 5.5): 768.64; (7)ACD/KOC (pH 7.4): 768.64; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.452; (12)Molar Refractivity: 38.04 cm3; (13)Molar Volume: 140.9 cm3; (14)Polarizability: 15.08×10-24 cm3; (15)Surface Tension: 25.8 dyne/cm; (16)Density: 1.121 g/cm3; (17)Flash Point: 61.2 °C; (18)Enthalpy of Vaporization: 38.72 kJ/mol; (19)Boiling Point: 167.4 °C at 760 mmHg; (20)Vapour Pressure: 2.25 mmHg at 25 °C.
Preparation: this chemical can be prepared by 4-Methyl-phenol. This reaction will need reagents Sodium hydroxide; Tris-(3,6-dioxaheptyl)amine. The reaction time is 2 hours with reaction temperature of 80 °C. The yield is about 54%.
Uses of Benzene,1-(difluoromethoxy)-4-methyl-: it can be used to produce 1-Bromomethyl-4-difluoromethoxy-benzene. It will need reagent Br2 and solvent CCl4 with reaction time of 30 min. The yield is about 72%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H8F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5,8H,1H3
(2)InChIKey: DJDQNISEJVPQCS-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C8H8F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5,8H,1H3
(4)Std. InChIKey: DJDQNISEJVPQCS-UHFFFAOYSA-N