CAS No.289039-42-5,3-CHLORO-5-FLUOROPHENETOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	289039-42-5
Name:	3-CHLORO-5-FLUOROPHENETOLE

Formula:	C₈H₈ClFO
Molecular Weight:	174.5999
Synonyms:	1-chloro-3-ethoxy-5-fluorobenzene;3-Chloro-5-fluorophenetole;
Density:	1.195 g/cm³
Boiling Point:	190.8 °C at 760 mmHg
Flash Point:	69.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	9.23000
LogP:	2.87780

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Specification

The Benzene,1-chloro-3-ethoxy-5-fluoro-, with the CAS registry number 289039-42-5, has the systematic name of 1-chloro-3-ethoxy-5-fluorobenzene. It belongs to the following product categories: Phenetole; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds; Fluorine Compounds. And the molecular formula of the chemical is C₈H₈ClFO.

The characteristics of Benzene,1-chloro-3-ethoxy-5-fluoro- are as followings: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 146.52; (6)ACD/BCF (pH 7.4): 146.52; (7)ACD/KOC (pH 5.5): 1235.8; (8)ACD/KOC (pH 7.4): 1235.8; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 42.45 cm³; (15)Molar Volume: 146.1 cm³; (16)Polarizability: 16.82×10^-24cm³; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 1.195 g/cm³; (19)Flash Point: 69.2 °C; (20)Enthalpy of Vaporization: 40.95 kJ/mol; (21)Boiling Point: 190.8 °C at 760 mmHg; (22)Vapour Pressure: 0.738 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(F)cc(OCC)c1
(2)InChI: InChI=1/C8H8ClFO/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5H,2H2,1H3
(3)InChIKey: NOXJNCPLTONOCB-UHFFFAOYAC