370606
4-(Trifluoromethoxy)benzaldehyde
96%
Synonym(s):
α,α,α-Trifluoroanisaldehyde
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About This Item
Linear Formula:
CF3OC6H4CHO
CAS Number:
Molecular Weight:
190.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
211-531-4
Beilstein/REAXYS Number:
1949135
MDL number:
assay
96%
form
liquid
refractive index
n20/D 1.458 (lit.)
bp
93 °C/27 mmHg (lit.)
density
1.331 g/mL at 25 °C (lit.)
SMILES string
FC(F)(F)Oc1ccc(C=O)cc1
InChI
1S/C8H5F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H
InChI key
XQNVDQZWOBPLQZ-UHFFFAOYSA-N
General description
4-(Trifluoromethoxy)benzaldehyde (p-(trifluoromethoxy)benzaldehyde) is an aromatic aldehyde. It participates in the synthesis of 4,5-dihydro-4-(4-trifluoromethoxyphenyl)pyrrolo[1,2-a]quinoxaline.
Application
4-(Trifluoromethoxy)benzaldehyde is suitable for use in the synthesis of (E)-4-(trifluoromethoxy)benzaldehyde thiosemicarbazone. It may be used in the synthesis of:
- new azo dyes containing of 5(4H)-oxazolone ring
- 2-[4-(trifluoromethoxy)phenyl]-1H-benzimidazole
- (E)-2-[4-(trifluoromethoxy)benzylidene]indan-1-one.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
158.0 °F - closed cup
flash_point_c
70 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Nikhath Fathima et al.
Acta crystallographica. Section E, Structure reports online, 69(Pt 2), o264-o264 (2013-02-21)
In the title compound, C(14)H(9)F(3)N(2)O, the best planes of the benzimidazole group and benzene ring form a dihedral angle of 26.68 (3)°. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into infinite chains parallel to the c axis. Stacking inter-actions
Mohamed Ashraf Ali et al.
Acta crystallographica. Section E, Structure reports online, 67(Pt 8), o2147-o2147 (2011-11-18)
In the title compound, C(17)H(11)F(3)O(2), the dihydro-indene ring is approximately planar with a maximum deviation of 0.024 (2) Å and makes a dihedral angle of 3.17 (8) Å with the adjacent benzene ring. In the crystal, mol-ecules are inter-connected by C-H⋯O inter-actions, forming an
Andreas J Kesel
European journal of medicinal chemistry, 46(5), 1656-1664 (2011-03-08)
Aromatic aldehyde-derived thiosemicarbazones 4-6, the S-substituted modified thiosemicarbazones 7/8, and a vitamin A-derived (retinoid) thiosemicarbazone derivative 12 were investigated as inhibitors of human hepatitis C virus (HCV) subgenomic RNA replicon Huh7 ET (luc-ubi-neo/ET) replication. Compounds 4-6 and 12 were found