2,3,5,6-Tetrafluorophenol
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2,3,5,6-Tetrafluorophenol
structure -
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CAS No:
769-39-1
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Formula:
C6H2F4O
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Chemical Name:
2,3,5,6-Tetrafluorophenol
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Synonyms:
Phenol,2,3,5,6-tetrafluoro-;2,3,5,6-Tetrafluorophenol;1,2,4,5-Tetrafluoro-3-hydroxybenzene;NSC 88309
- Categories:
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CAS No:
2,3,5,6-Tetrafluorophenol Basic Attributes
166.07
166.07
1911548
212-209-6
TNA118I5TG
88309
DTXSID60227695
2908199090
Characteristics
20.2
2.1
White Crystalline Low Melting Solid
1.6±0.1 g/cm3
38 °C
140 °C
175 °F
1.449
Partly miscible in water.
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
III
8
UN3261
3
36/37/38
26-36
Xi
Irritant
Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents.
P261-P305 + P351 + P338
H315-H319-H335
|Danger|H302 (14.58%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,3,5,6-Tetrafluorophenol Use and Manufacturing
Chalcone 1d, 1.0 g (3.4 mmol), was added to a solution of 0.64 g (6.7 mmol) of guanidine hydrochloride and 0.32 g (13.4 mmol) of sodium hydride in 10 mL of DMF. The mixture was stirred for 1.5 h at 50°C, cooled, poured onto ice, and treated with ethyl acetate. The undissolved material at the phase boundary was filtered off. We thus isolated 0.1 g (16percent) of 2-amino-6-phenyl-5, 6-dihydropyrimidin-4(1H)-one (7a) which was identical to a sample described in [19] in 1H NMR data and melting point (mp 255–257°C; 257.3°C [19]). The extract was washed with water and dried over CaCl2, the solvent was removed under reduced pressure ona rotary evaporator, and the residue, 0.29 g, was analyzed by NMR and GC/MS.
Computed Properties
Molecular Weight:166.07
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:166.00417733
Monoisotopic Mass:166.00417733
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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