1H-2-Benzopyran, 6-fluoro-3,4-dihydro- supplier

Name
6-FLUOROISOCHROMAN
EINECS
CAS No. 50396-63-9
Article Data5
CAS DataBase
Density 1.157 g/cm³
Solubility
Melting Point
Formula C₉H₉FO
Boiling Point 223.083 °C at 760 mmHg
Molecular Weight 152.168
Flash Point 81.621 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Fluoro-3,4-dihydro-1H-isochromene;6-Fluoroisochroman;
PSA 9.23000
LogP 1.89840

1H-2-Benzopyran, 6-fluoro-3,4-dihydro- Specification

The 1H-2-Benzopyran, 6-fluoro-3,4-dihydro-, with the CAS registry number 50396-63-9, is also known as 6-Fluoroisochroman. This chemical's molecular formula is C₉H₉FO and molecular weight is 152.17. What's more, its systematic name is 6-fluoro-3,4-dihydro-1H-isochromene.

Physical properties of 1H-2-Benzopyran, 6-fluoro-3,4-dihydro- are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 24; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 336; (8)ACD/KOC (pH 7.4): 336; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 40.026 cm³; (15)Molar Volume: 131.516 cm³; (16)Polarizability: 15.868×10^-24cm³; (17)Surface Tension: 37.397 dyne/cm; (18)Density: 1.157 g/cm³; (19)Flash Point: 81.621 °C; (20)Enthalpy of Vaporization: 44.086 kJ/mol; (21)Boiling Point: 223.083 °C at 760 mmHg; (22)Vapour Pressure: 0.146 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2COCCc2c1
(2)InChI: InChI=1S/C9H9FO/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5H,3-4,6H2
(3)InChIKey: KUSSTKTZJFPGBJ-UHFFFAOYSA-N

Product Name

6-FLUOROISOCHROMAN

1H-2-Benzopyran, 6-fluoro-3,4-dihydro- Specification

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