4-Chloro-2-(trifluoromethyl)phenol
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4-Chloro-2-(trifluoromethyl)phenol
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CAS No:
53903-51-8
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Formula:
C7H4ClF3O
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Chemical Name:
4-Chloro-2-(trifluoromethyl)phenol
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Synonyms:
Phenol,4-chloro-2-(trifluoromethyl)-;4-Chloro-2-(trifluoromethyl)phenol;2-Trifluoromethyl-4-chlorophenol
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CAS No:
4-Chloro-2-(trifluoromethyl)phenol Basic Attributes
196.553
196.55
1312995-182-4
DTXSID30512929
2908199090
Safety Information
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-Chloro-2-(trifluoromethyl)phenol Use and Manufacturing
Add a solution of NaNO2 (0. 458 g, 6.63 mmol) in water (2 mL) to a cool (0°C) mixture of 4- chloro-2-trifluoromethyl-aniline (1.08 g, 5.52 mmol) in 33percent H2SO4 (40 mL). After 3 hours, add urea (0.100 g, 1.67 mmol) and stir for 10 minutes. Add this reaction mixture to 100 mL of refluxing 33percent His04 and heat at reflux'for 1 hour, before cooling to ambient temperature. Extract the mixture with EtOAc. Wash the organic extracts with water and aqueous saturated sodium chloride, dry over anhydrous Na2S04, filter, and concentrate in vacuo. Purify on silica gel eluting with 20percent EtOAc/hexanes to give 4-chloro-2-trifluoromethyl-phenol (0.245 g, 23percent). Mass spectrum (ion spray): m/z = 195 (M-1), lH NMR (CDC13) 6 7.49 (d, 1H), 7. 38 (dd, 1H), 6.91 (d, 1H), 5.44 (brs, 1H).Sodium nitrite (0.47 g) in H
Computed Properties
Molecular Weight:196.55
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:195.9902769
Monoisotopic Mass:195.9902769
Topological Polar Surface Area:20.2
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 4-Chloro-2-(trifluoromethyl)phenol
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Business licensed Certified factoryManufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acidInquiryCAS No.: 53903-51-8Grade: Industrial GradeContent: 95%
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4-Chloro-2-(trifluoromethyl)phenol
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