CAS No.450-95-3,2'-FLUOROACETOPHENONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	450-95-3
Name:	2'-FLUOROACETOPHENONE
Article Data:	120

Formula:	C₈H₇FO
Molecular Weight:	138.141
Synonyms:	1-Phenyl-2-fluoroethanone;α-Fluoroacetophenone;
EINECS:	207-156-0
Density:	1.092 g/cm³
Melting Point:	26-27 °C
Boiling Point:	204.2 °C at 760 mmHg
Flash Point:	74.4 °C
Hazard Symbols:	Xi, F
Risk Codes:	36/37/38
Safety:	26-36
PSA:	17.07000
LogP:	1.83880

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Specification

The Ethanone,2-fluoro-1-phenyl-, with the CAS registry number of 450-95-3, is also known as Phenacyl fluoride. It belongs to the product category of Acetylhalide. Its EINECS registry number is 207-156-0. This chemical's molecular formula is C₈H₇FO and molecular weight is 138.14. What's more, its IUPAC name is 2-Fluoro-1-phenylethanone.

Physical properties about Ethanone,2-fluoro-1-phenyl- are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 6.56; (6)ACD/BCF (pH 7.4): 6.56; (7)ACD/KOC (pH 5.5): 133.81; (8)ACD/KOC (pH 7.4): 133.81; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 36.44 cm³; (15)Molar Volume: 126.4 cm³; (16)Polarizability: 14.44×10^-24 cm³; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.092 g/cm³; (19)Flash Point: 74.4 °C; (20)Enthalpy of Vaporization: 44.04 kJ/mol; (21)Boiling Point: 204.2 °C at 760 mmHg; (22)Vapour Pressure: 0.267 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following data into molecular structure:
(1) SMILES: O=C(c1ccccc1)CF
(2) InChI: InChI=1/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
(3) InChIKey: YOMBUJAFGMOIGS-UHFFFAOYAE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	unreported	225mg/kg (225mg/kg)	BEHAVIORAL: EXCITEMENT	Journal of the American Chemical Society. Vol. 76, Pg. 4137, 1954.
rat	LDLo	unreported	225mg/kg (225mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of the American Chemical Society. Vol. 76, Pg. 4137, 1954.