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CAS No.: | 3794-15-8 |
---|---|
Name: | 2-FLUORODIPHENYLMETHANE |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C13H11F |
Molecular Weight: | 186.229 |
Synonyms: | Methane,(o-fluorophenyl)phenyl- (6CI,7CI,8CI);NSC 99453; |
Density: | 1.076 g/cm3 |
Boiling Point: | 258.7 °C at 760 mmHg |
Flash Point: | 108.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 0.00000 |
LogP: | 3.41650 |
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The Benzene, 1-fluoro-2-(phenylmethyl)-, with the CAS registry number 3794-15-8, is also known as 2-Fluorodiphenylmethane. This chemical's molecular formula is C13H11F and molecular weight is 186.22. What's more, its IUPAC name is 1-Benzyl-2-fluorobenzene. In addition, it must be stored in airtight containers and placed in a dry, ventilated place. Meanwhile, it should be kept away from light.
Physical properties about Benzene, 1-fluoro-2-(phenylmethyl)- are: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.26; (4)ACD/LogD (pH 7.4): 4.26; (5)ACD/BCF (pH 5.5): 1015.42; (6)ACD/BCF (pH 7.4): 1015.42; (7)ACD/KOC (pH 5.5): 4940.36; (8)ACD/KOC (pH 7.4): 4940.36; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 55.56 cm3; (15)Molar Volume: 173 cm3; (16)Polarizability: 22.02×10-24 cm3; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 1.076 g/cm3; (19)Flash Point: 108.4 °C; (20)Enthalpy of Vaporization: 47.63 kJ/mol; (21)Boiling Point: 258.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0218 mmHg at 25 °C.
Preparation of Benzene, 1-fluoro-2-(phenylmethyl)-: this chemical is prepared by 2-Fluoro-benzophenone at ambient temperature. This reaction needs reagents CF3SO3H and (C2H5)3SiH. Meanwhile, it needs solvent CH2Cl2. The reaction time is 2 hours. The yield is about 80 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. 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) SMILES: Fc1ccccc1Cc2ccccc2
(2) InChI: InChI=1/C13H11F/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
(3) InChIKey: YWWVDXKZLGXVHT-UHFFFAOYAS