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579-39-5

Basic Information
CAS No.: 579-39-5
Name: 1,2-Ethanedione,1,2-bis(4-fluorophenyl)-
Molecular Structure:
Molecular Structure of 579-39-5 (1,2-Ethanedione,1,2-bis(4-fluorophenyl)-)
Formula: C14H8 F2 O2
Molecular Weight: 246.2089
Synonyms: Benzil,4,4'-difluoro- (6CI,8CI); Ethanedione, bis(4-fluorophenyl)- (9CI);1,2-Bis(4-fluorophenyl)-1,2-ethanedione; 4,4'-Difluorobenzil;4,4'-Difluorobibenzoyl; p,p'-Difluorobenzil
EINECS:
Density: 1.304 g/cm3
Melting Point: 120-122 °C(lit.)
Boiling Point: 370.2 °C at 760 mmHg
Flash Point: 141.5 °C
Solubility: Soluble IN WATER
Appearance: pale yellow powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
Transport Information:
PSA: 34.14000
LogP: 3.03040
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Chemistry

IUPAC Name: 1,2-bis(4-Fluorophenyl)ethane-1,2-dione
Synonyms of 1,2-Ethanedione,1,2-bis(4-fluorophenyl)- (CAS NO.579-39-5): Ethanedione, bis(4-fluorophenyl)-
CAS NO: 579-39-5
Molecular Formula:C14H8F2O2
Molecular Weight: 246.21
Molecular Structure:
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 34.14 Å2
Index of Refraction: 1.562
Molar Refractivity: 61.23 cm3
Molar Volume: 188.7 cm3
Surface Tension: 44.4 dyne/cm
Density: 1.304 g/cm3
Flash Point: 141.5 °C
Enthalpy of Vaporization: 61.7 kJ/mol
Boiling Point: 370.2 °C at 760 mmHg
Vapour Pressure: 1.13E-05 mmHg at 25°C
Melting Point: 120-122 °C(lit.)
Appearance: pale yellow powder
SMILES: O=C(c1ccc(F)cc1)C(=O)c2ccc(F)cc2
InChI: InChI=1/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey: BRKULQOUSCHDGS-UHFFFAOYAU
Std. InChI: InChI=1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
Std. InChIKey: BRKULQOUSCHDGS-UHFFFAOYSA-N
Product Categories of 1,2-Ethanedione,1,2-bis(4-fluorophenyl)- (CAS NO.579-39-5): Aromatic Halides (substituted);C13 to C14;Carbonyl Compounds;Ketones

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant
TSCA: T

Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use carbon dioxide or dry chemical. 
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage: Store 1,2-Ethanedione,1,2-bis(4-fluorophenyl)- (CAS NO.579-39-5) in a cool, dry place. Store in a tightly closed container.