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CAS No.: | 306934-87-2 |
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Name: | 6-Fluoro-4H-1,3-benzodioxine-8-carbaldehyde |
Molecular Structure: | |
Formula: | C9H7FO3 |
Molecular Weight: | 182.151 |
Synonyms: | 6-Fluoro-4H-1,3-benzodioxine-8-carboxaldehyde; |
Density: | 1.357 g/cm3 |
Melting Point: | 113 °C |
Boiling Point: | 323.051 °C at 760 mmHg |
Flash Point: | 144.319 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39-37/39 |
PSA: | 35.53000 |
LogP: | 1.50470 |
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The 6-Fluoro-4H-1,3-benzodioxine-8-carbaldehyde, with the CAS registry number 306934-87-2, is also known as 4H-1,3-Benzodioxin-8-carboxaldehyde, 6-fluoro-. This chemical's molecular formula is C9H7FO3 and molecular weight is 182.15. Its IUPAC name is called 6-fluoro-4H-1,3-benzodioxine-8-carbaldehyde. This chemical is white to light yellow crystal powder.
Physical properties of 6-Fluoro-4H-1,3-benzodioxine-8-carbaldehyde: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.876; (4)ACD/LogD (pH 7.4): 1.876; (5)ACD/BCF (pH 5.5): 15.699; (6)ACD/BCF (pH 7.4): 15.699; (7)ACD/KOC (pH 5.5): 249.823; (8)ACD/KOC (pH 7.4): 249.823; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 43.773 cm3; (14)Molar Volume: 134.225 cm3; (15)Surface Tension: 48.852 dyne/cm; (16)Density: 1.357 g/cm3; (17)Melting Point: 113 °C; (18)Flash Point: 144.319 °C; (19)Enthalpy of Vaporization: 56.495 kJ/mol; (20)Boiling Point: 323.051 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C2=C(C(=CC(=C2)F)C=O)OCO1
(2)InChI: InChI=1S/C9H7FO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-3H,4-5H2
(3)InChIKey: NUQNWDKKRFXBPK-UHFFFAOYSA-N