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Structure

4-Fluoro-3-(trifluoromethyl)phenol

CAS
61721-07-1
Catalog Number
ACM61721071
Category
Other Products
Molecular Weight
180.1
Molecular Formula
C7H4F4O

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Specification

Synonyms
3-Trifluoromethyl-4-fluorophenol
IUPAC Name
4-fluoro-3-(trifluoromethyl)phenol
Canonical SMILES
C1=CC(=C(C=C1O)C(F)(F)F)F
InChI
InChI=1S/C7H4F4O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H
InChI Key
DHPCRFYUUWAGAH-UHFFFAOYSA-N
Boiling Point
84-86 °C
Melting Point
17 °C
Density
1.145 g/ml

Upstream Synthesis Route 1

  • 2357-47-3
  • 61721-07-1

Reference: [1] Patent: US5892126, 1999, A,

Upstream Synthesis Route 2

  • 2357-47-3
  • 61721-07-1

Reference: [1] Journal of Medicinal Chemistry, 1982, vol. 25, # 9, p. 1097 - 1101

Upstream Synthesis Route 3

  • 2357-47-3
  • 61721-07-1

Reference: [1]Journal of Medicinal Chemistry,1982,vol. 25,p. 1097 - 1101

Downstream Synthesis Route 1

  • 213265-83-9
  • 61721-07-1
  • 361377-26-6

Reference: [1]Patent: US2003/92723,2003,A1

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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