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2-Chloro-6-fluoro-4-(trifluoromethyl)phenol

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Name

2-Chloro-6-fluoro-4-(trifluoromethyl)phenol

EINECS N/A
CAS No. 116640-09-6 Density 1.559 g/cm3
PSA 20.23000 LogP 3.20350
Solubility N/A Melting Point N/A
Formula C7H3ClF4O Boiling Point 165.4 °C at 760 mmHg
Molecular Weight 214.5447 Flash Point 53.9 °C
Transport Information N/A Appearance light yellow powder
Safety 23-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 116640-09-6 (2-CHLORO-6-FLUORO-4-(TRIFLUOROMETHYL)PHENOL 98) Hazard Symbols IrritantXi
Synonyms

4-(5-amino-6-benzylpyrazin-2-yl)phenol

 

2-Chloro-6-fluoro-4-(trifluoromethyl)phenol Specification

The 2-Chloro-6-fluoro-4-(trifluoromethyl)phenol is an organic compound with the formula C7H3ClF4O. The systematic name of this chemical is 2-chloro-6-fluoro-4-(trifluoromethyl)phenol. With the CAS registry number 116640-09-6, the product's category is Phenol & Thiophenol & Mercaptan.

Physical properties about 2-Chloro-6-fluoro-4-(trifluoromethyl)phenol are: (1)ACD/LogP: 3.20; (2)ACD/LogD (pH 5.5): 3.04; (3)ACD/LogD (pH 7.4): 1.65; (4)ACD/BCF (pH 5.5): 110.39; (5)ACD/BCF (pH 7.4): 4.48; (6)ACD/KOC (pH 5.5): 908.43; (7)ACD/KOC (pH 7.4): 36.85; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.23 Å2; (12)Index of Refraction: 1.464; (13)Molar Refractivity: 38 cm3; (14)Molar Volume: 137.5 cm3; (15)Polarizability: 15.06×10-24cm3; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 1.559 g/cm3; (18)Flash Point: 53.9 °C; (19)Enthalpy of Vaporization: 41.85 kJ/mol; (20)Boiling Point: 165.4 °C at 760 mmHg; (21)Vapour Pressure: 1.43 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(Cl)c1O)C(F)(F)F
(2)InChI: InChI=1/C7H3ClF4O/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2,13H
(3)InChIKey: GMDXDJVADBEUBV-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H3ClF4O/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2,13H
(5)Std. InChIKey: GMDXDJVADBEUBV-UHFFFAOYSA-N

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