Name: 2-CHLORO-3,5-DIFLUOROPHENOL
SKU: 206986-81-4

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Basic Information

Molecular Structure:
CAS No.:	206986-81-4
Name:	2-CHLORO-3,5-DIFLUOROPHENOL

Formula:	C₆H₃ClF₂O
Molecular Weight:	164.54
Synonyms:	2-Chloro-3,5-difluorophenol;2-Chloro-3,5-difluorophenol 98%;
Density:	1.52 g/cm³
Melting Point:	45-46 °C(lit.)
Boiling Point:	158.2 °C at 760 mmHg
Flash Point:	70.8 °C
Hazard Symbols:	F,Xi
Risk Codes:	11-36/37/38
Safety:	16-26-33-36/37/39
Transport Information:	UN 1325 4.1/PG 2
PSA:	20.23000
LogP:	2.32380

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Specification

The CAS register number of Phenol,2-chloro-3,5-difluoro- is 206986-81-4. The systematic name about this chemical is 2-chloro-3,5-difluorophenol. The molecular formula about this chemical is C₆H₃ClF₂O and the molecular weight is 164.54. It belongs to the following product categories which include Organic Building Blocks; Oxygen Compounds; Phenols and so on.

Physical properties about Phenol,2-chloro-3,5-difluoro- are: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 2.99; (3)ACD/LogD (pH 7.4): 2.08; (4)ACD/BCF (pH 5.5): 107.78; (5)ACD/BCF (pH 7.4): 13.37; (6)ACD/KOC (pH 5.5): 965.6; (7)ACD/KOC (pH 7.4): 119.77; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 33.01 cm³; (14)Molar Volume: 108.2 cm³; (15)Polarizability: 13.08x10^-24cm³; (16)Surface Tension: 40.1 dyne/cm; (17)Density: 1.52 g/cm³; (18)Flash Point: 70.8 °C; (19)Enthalpy of Vaporization: 41.11 kJ/mol; (20)Boiling Point: 158.2 °C at 760 mmHg; (21)Vapour Pressure: 2.05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. When contact with air or only need brief contact with an ignition source, it may catch fire. Because it has a very low flash point and can evolve highly flammable gases in contact with water. It may also cause inflammation to the skin or other mucous membranes and it is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection and take precautionary measures against static discharges. When you are using it, Please keep away from sources of ignition. 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)SMILES: Fc1cc(F)c(Cl)c(O)c1
(2)InChI: InChI=1/C6H3ClF2O/c7-6-4(9)1-3(8)2-5(6)10/h1-2,10H
(3)InChIKey: ZQWULOHSTAQTKJ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H3ClF2O/c7-6-4(9)1-3(8)2-5(6)10/h1-2,10H
(5)Std. InChIKey: ZQWULOHSTAQTKJ-UHFFFAOYSA-N