6-Fluoro-4-nitro-3H-isobenzofuran-1-one supplier

Name
6-Fluoro-4-nitro-3H-isobenzofuran-1-one
EINECS
CAS No. 1207453-90-4
Article Data4
CAS DataBase
Density 1.614 g/cm³
Solubility
Melting Point
Formula C₈H₄FNO₄
Boiling Point 414.93 °C at 760 mmHg
Molecular Weight 197.122
Flash Point 204.742 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Fluoro-4-nitro-3H-isobenzofuran-1-one
PSA 72.12000
LogP 1.92750

6-Fluoro-4-nitro-3H-isobenzofuran-1-one Specification

The CAS registry number of 1(3H)-Isobenzofuranone, 6-fluoro-4-nitro- is 1207453-90-4. This chemical's molecular formula is C₈H₄FNO₄ and molecular weight is 197.12. What's more, its systematic name is called 6-Fluoro-4-nitro-3H-isobenzofuran-1-one.

Physical properties about 1(3H)-Isobenzofuranone, 6-fluoro-4-nitro- are: (1)ACD/LogP: 1.038; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.62; (6)ACD/BCF (pH 7.4): 3.62; (7)ACD/KOC (pH 5.5): 87.46; (8)ACD/KOC (pH 7.4): 87.46; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 42.091 cm³; (15)Molar Volume: 122.117 cm³; (16)Polarizability: 16.686×10^-24cm³; (17)Surface Tension: 61.785 dyne/cm; (18)Density: 1.614 g/cm³; (19)Flash Point: 204.742 °C; (20)Enthalpy of Vaporization: 66.794 kJ/mol; (21)Boiling Point: 414.93 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cc(c2c1C(=O)OC2)[N+](=O)[O-])F
(2) InChI: InChI=1S/C8H4FNO4/c9-4-1-5-6(3-14-8(5)11)7(2-4)10(12)13/h1-2H,3H2
(3) InChIKey: JBLFHMWQMPVDDL-UHFFFAOYSA-N

Product Name

6-Fluoro-4-nitro-3H-isobenzofuran-1-one

6-Fluoro-4-nitro-3H-isobenzofuran-1-one Specification

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