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3-Chloro-2-fluorophenol

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Name

3-Chloro-2-fluorophenol

EINECS 220-042-5
CAS No. 2613-22-1 Density 1.409 g/cm3
PSA 20.23000 LogP 2.18470
Solubility Insoluble in water. Melting Point 34-38℃
Formula C6H4ClFO Boiling Point 191.119 °C at 760 mmHg
Molecular Weight 146.549 Flash Point 69.386 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 2613-22-1 (3-CHLORO-2-FLUOROPHENOL) Hazard Symbols ToxicT,IrritantXi
Synonyms

Phenol,3-chloro-2-fluoro; 3-Chlor-2-fluor-phenol; 2-fluoro-3-chloro-phenol; 3-Chloro-2-fluoro-phenol; 3-Chloro-2-Fluorophenol;

 

3-Chloro-2-fluorophenol Specification

The 3-Chloro-2-fluorophenol with its cas register number is 2613-22-1. It also can be called as Phenol,3-chloro-2-fluoro- and the IUPAC name about this chemical is 3-chloro-2-fluorophenol. It belongs to the Phenol&Thiophenol&Mercaptan.

Physical properties about 3-Chloro-2-fluorophenol are: (1)ACD/BCF (pH 5.5): 70.34 ; (2)ACD/BCF (pH 7.4): 48.71 ; (3)ACD/KOC (pH 5.5): 729.66 ; (4)ACD/KOC (pH 7.4): 505.3 ; (5)#H bond acceptors: 1 ; (6)#H bond donors: 1 ; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 9.23Å2 ; (9)Index of Refraction: 1.547 ; (10)Molar Refractivity: 33.02 cm3 ; (11)Molar Volume: 104 cm3 ; (12)Polarizability: 13.09x10-24cm3 ; (13)Surface Tension: 42.2 dyne/cm; (14) Enthalpy of Vaporization: 44.48 kJ/mol ; (15)Vapour Pressure: 0.377 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are 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.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)Cl)F)O
(2)InChI: InChI=1S/C6H4ClFO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H 
(3)InChIKey: PCHPYNHSMSAJEU-UHFFFAOYSA-N 

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