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CAS No.: | 351-52-0 |
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Name: | 3-Fluoro-4-methoxybenzyl chloride |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H8ClFO |
Molecular Weight: | 174.602 |
Synonyms: | Anisole,4-(chloromethyl)-2-fluoro- (8CI);4-Chloromethyl-2-fluoro-1-methoxybenzene;m-Fluoro-p-methoxybenzyl chloride; |
Density: | 1.201 g/cm3 |
Melting Point: | 35-39℃ |
Boiling Point: | 232.2 °C at 760 mmHg |
Flash Point: | 94.2 °C |
Hazard Symbols: | C |
PSA: | 9.23000 |
LogP: | 2.57310 |
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The Benzene,4-(chloromethyl)-2-fluoro-1-methoxy-, with the CAS registry number 351-52-0, is also known as 3-Fluoro-4-methoxybenzyl chloride. It belongs to the product category of Fluorobenzene. This chemical's molecular formula is C8H8ClFO and formula weight is 174.60. What's more, its IUPAC name is 4-(chloromethyl)-2-fluoro-1-methoxybenzene.
Physical properties of Benzene,4-(chloromethyl)-2-fluoro-1-methoxy- are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.40; (3)ACD/BCF (pH 5.5): 39.54; (4)ACD/KOC (pH 5.5): 483.91; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 9.23 Å2; (9)Index of Refraction: 1.499; (10)Molar Refractivity: 42.69 cm3; (11)Molar Volume: 145.3 cm3; (12)Surface Tension: 32.2 dyne/cm; (13)Density: 1.201 g/cm3; (14)Flash Point: 94.2 °C; (15)Enthalpy of Vaporization: 44.98 kJ/mol; (16)Boiling Point: 232.2 °C at 760 mmHg; (17)Vapour Pressure: 0.091 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)CCl)F
(2)InChI: InChI=1S/C8H8ClFO/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,5H2,1H3
(3)InChIKey: DDAXEANMRGIVDY-UHFFFAOYSA-N