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6-Fluoro-4H-1,3-benzodioxine-8-carbaldehyde

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Name

6-Fluoro-4H-1,3-benzodioxine-8-carbaldehyde

EINECS N/A
CAS No. 306934-87-2 Density 1.357 g/cm3
PSA 35.53000 LogP 1.50470
Solubility N/A Melting Point 113 °C
Formula C9H7FO3 Boiling Point 323.051 °C at 760 mmHg
Molecular Weight 182.151 Flash Point 144.319 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36/37/39-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 306934-87-2 (6-Fluoro-4H-1,3-benzodioxine-8-carbaldehyde) Hazard Symbols IrritantXi
Synonyms

6-Fluoro-4H-1,3-benzodioxine-8-carboxaldehyde;

 

6-Fluoro-4H-1,3-benzodioxine-8-carbaldehyde Specification

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

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