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CAS No.: | 62476-62-4 |
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Name: | ALPHA,ALPHA,2-TRICHLORO-6-FLUOROTOLUENE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H4Cl3F |
Molecular Weight: | 213.466 |
Synonyms: | 2-Chloro-6-fluorobenzalchloride; |
EINECS: | 263-562-8 |
Density: | 1.467 g/cm3 |
Boiling Point: | 225.4 °C at 760 mmHg |
Flash Point: | 99.7 °C |
Appearance: | UN 3265 |
Hazard Symbols: | C |
Risk Codes: | 34-36/37 |
Safety: | 26-27-28-36/37/39-45 |
PSA: | 0.00000 |
LogP: | 3.95530 |
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This chemical is called Benzene, 1-chloro-2-(dichloromethyl)-3-fluoro-, and its systematic name is 1-Chloro-2-(dichloromethyl)-3-fluorobenzene. With the molecular formula of C7H4Cl3F, its molecular weight is 179.02. The CAS registry number of this chemical is 62476-62-4.
Other characteristics of the Benzene, 1-chloro-2-(dichloromethyl)-3-fluoro- can be summarised as followings: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 86.61; (6)ACD/BCF (pH 7.4): 86.61; (7)ACD/KOC (pH 5.5): 848.28; (8)ACD/KOC (pH 7.4): 848.28; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 45.75 cm3; (15)Molar Volume: 145.4 cm3; (16)Polarizability: 18.14×10-24cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.467 g/cm3; (19)Flash Point: 99.7 °C; (20)Enthalpy of Vaporization: 44.32 kJ/mol; (21)Boiling Point: 225.4 °C at 760 mmHg; (22)Vapour Pressure: 0.129 mmHg at 25°C.
Production method of this chemical: The Benzene, 1-chloro-2-(dichloromethyl)-3-fluoro- could be obtained by the reactant of 1-chloro-3-fluoro-2-trichloromethyl-benzene. This reaction needs the reagent of thiophenol, and the catalyst of CuBr. The yield is 78 %. In addition, this reaction should be taken for 10 hours at the temperature of 120 °C.
Uses of this chemical: The 2-chloro-6-fluoro-toluene could be obtained by the reactant of Benzene, 1-chloro-2-(dichloromethyl)-3-fluoro-. This reaction needs the reagent of Mg. The yield is 58 %. This reaction should be taken at the temperature of 600 °C.
You can still convert the following datas into molecular structure:
1.SMILES: ClC(Cl)c1c(F)cccc1Cl
2.InChI: InChI=1/C7H4Cl3F/c8-4-2-1-3-5(11)6(4)7(9)10/h1-3,7H
3.InChIKey: LQIXIKRJISFVEC-UHFFFAOYAR