CAS No.459-47-2,1-ETHYL-4-FLUOROBENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	459-47-2
Name:	1-ETHYL-4-FLUOROBENZENE
Article Data:	85

Formula:	C₈H₉F
Molecular Weight:	124.158
Synonyms:	1-Ethyl-4-fluorobenzene;4-Ethylfluorobenzene;4-Fluoroethylbenzene;p-Fluoroethylbenzene;
Density:	0.981 g/cm³
Boiling Point:	141.6 °C at 760 mmHg
Flash Point:	28.9 °C
Solubility:	Not miscible in water.
Appearance:	liquid
Hazard Symbols:	F； Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
Transport Information:	UN 1993
PSA:	0.00000
LogP:	2.38810

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Specification

The Benzene,1-ethyl-4-fluoro-, with CAS registry number 459-47-2, has the systematic name of 1-ethyl-4-fluoro-benzene. Besides this, it is also called 1,4-ethylfluorobenzene. This chemical should be stored in cool, dry place. And the chemical formula of this chemical is C₈H₉F.

Physical properties of Benzene,1-ethyl-4-fluoro-: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.26; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: Å²; (9)Index of Refraction: 1.477; (10)Molar Refractivity: 35.79 cm³; (11)Molar Volume: 126.4 cm³; (12)Polarizability: 14.19×10^-24cm³; (13)Surface Tension: 28 dyne/cm; (14)Density: 0.981 g/cm³; (15)Flash Point: 28.9 °C; (16)Enthalpy of Vaporization: 36.32 kJ/mol; (17)Boiling Point: 141.6 °C at 760 mmHg; (18)Vapour Pressure: 7.26 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-ethyl-4-fluoro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1ccc(F)cc1
(2)InChI: InChI=1/C8H9F/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
(3)InChIKey: BLDNWXVISIXWKZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H9F/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
(5)Std. InChIKey: BLDNWXVISIXWKZ-UHFFFAOYSA-N