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CAS Number: 402-45-9
4-(trifluoromethyl)phenol

Structure

4-(trifluoromethyl)phenol
Name: 4-(trifluoromethyl)phenol
Synonyms:
General Information
Product Number: 402459

CAS Registry Number 402-45-9
Name:
Phenol, 4-​(trifluoromethyl)​-
p-Cresol, α,α,α-trifluoro- (7CI,8CI)
4-(Trifluoromethyl)phenol
4-Hydroxybenzotrifluoride
NSC 88303
p-Hydroxybenzotrifluoride

 

Chemical Formula: C7H5F3O
Exact Mass: 162.03
Molecular Weight: 162.11
m/z: 162.03 (100.0%), 163.03 (7.6%)

 

InChI:InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H

InChI Key:BAYGVMXZJBFEMB-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1C(F)(F)F)O

Specification

98%

References
  1. (1) Hanoian, Philip; Biochemistry 2010, V49(48), P10339-10348 CAPLUS
  2. (2) Nielsen, Merete Folmer; Journal of the American Chemical Society 2006, V128(4), P1172-1182 CAPLUS
  3. (3) Kraut, Daniel A.; PLoS Biology 2006, V4(4), P501-519 CAPLUS
  4. (4) Huffman, Lauren M.; Chemistry - A European Journal 2011, V17(38), P10643-10650, S10643/1-S10643/48 CAPLUS
  5. (23) Hagiwara, Takuyuki; Analytical Sciences 1991, V7(1), P129-35 CAPLUS
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