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CAS No.: | 704-83-6 |
---|---|
Name: | 1-(4-Fluorophenyl)-butanol |
Molecular Structure: | |
Formula: | C10H13FO |
Molecular Weight: | 168.2080232 |
Synonyms: | Benzylalcohol, p-fluoro-a-propyl- (7CI,8CI); |
EINECS: | 211-881-8 |
Density: | 1.066g/cm3 |
Boiling Point: | 237.5 °C at 760 mmHg |
Flash Point: | 119.5 °C |
PSA: | 20.23000 |
LogP: | 2.65920 |
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The Benzenemethanol,4-fluoro-a-propyl-, with CAS registry number 704-83-6, has the systematic name of 1-(4-fluorophenyl)butan-1-ol. And the chemical formula of this chemical is C10H13FO. Its molecular structure is 168.2080232. What's more, its EINECS is 211-881-8.
Physical properties of Benzenemethanol,4-fluoro-a-propyl-: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.48; (6)ACD/BCF (pH 7.4): 46.48; (7)ACD/KOC (pH 5.5): 543.3; (8)ACD/KOC (pH 7.4): 543.3; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 46.59 cm3; (15)Molar Volume: 157.7 cm3; (16)Polarizability: 18.47×10-24cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 1.066 g/cm3; (19)Flash Point: 119.5 °C; (20)Enthalpy of Vaporization: 50.13 kJ/mol; (21)Boiling Point: 237.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0244 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(O)CCC
(2)InChI: InChI=1/C10H13FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3
(3)InChIKey: IRZIMCQXZSILPU-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H13FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3
(5)Std. InChIKey: IRZIMCQXZSILPU-UHFFFAOYSA-N