556432
4-Ethynyl-α,α,α-trifluorotoluene
97%
Manufacturer: Sigma Aldrich
CAS Number: 705-31-7
Synonym(S): 1-Ethynyl-4-(trifluoromethyl)benzen, 1-Ethynyl-4-(trifluoromethyl)benzene, 1-Trifluoromethyl-4-ethynylbenzene, 4-(Trifluoromethyl)phenylacetylene, 4-Ethynyl(trifluoromethyl)benzene, 4-Ethynyl-trifluorotoluene, 4-Trifluorophenylacetylene, [4-(Trifluoromethyl)phenyl]ethyne, p-(Trifluoromethyl)phenylacetylene
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| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 5 G | 556432-5-G | In Stock | ₹ 30,028.55 |
556432 - 5 G
In Stock
Quantity
1
Base Price: ₹ 30,028.55
GST (18%): ₹ 5,405.139
Total Price: ₹ 35,433.689
Quality Level
100
Assay
97%
refractive index
n20/D 1.4650 (lit.)
bp
78-80 °C/2 mmHg (lit.)
density
1.043 g/mL at 25 °C (lit.)
SMILES string
FC(F)(F)c1ccc(cc1)C#C
InChI
1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H
InChI key
XTKBMZQCDBHHKY-UHFFFAOYSA-N
Related Products
Description
- General description: 4-Ethynyl-α,α,α-trifluorotoluene reacts with ethanol to afford the corresponding α,β-alkynyl ester.[1] 4-Ethynyl-α,α,α-trifluorotoluene plays the role of a functionalized alkyne in copper-catalyzed azide-alkyne cycloaddition (CuAAC) reaction on BrPP thin films.[2]
- Application: 4-Ethynyl-α,α,α-trifluorotoluene may be used to synthesize the following: 6,13-bis(4-trifluoromethylphenylethynyl)pentacene[3]1,2-dialkynylimidazoles[4]trans-[Co(cyclam)(p-CCC6H4CF3)2]OTf complex (where cyclam - 1,4,8,11-tetraazacyclotetradecane; 4-ethynyl-α,α,α-trifluorotoluene - p-CCC6H4CF3; OTf- trifluoromethane sulfonate)[5]3-spiroazetidinimine-2-oxindoles[6]
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Quality Level: 100
Assay: 97%
refractive index: n20/D 1.4650 (lit.)
bp: 78-80 °C/2 mmHg (lit.)
density: 1.043 g/mL at 25 °C (lit.)
SMILES string: FC(F)(F)c1ccc(cc1)C#C
InChI: 1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H
InChI key: XTKBMZQCDBHHKY-UHFFFAOYSA-N
Quality Level:
100
Assay:
97%
refractive index:
n20/D 1.4650 (lit.)
bp:
78-80 °C/2 mmHg (lit.)
density:
1.043 g/mL at 25 °C (lit.)
SMILES string:
FC(F)(F)c1ccc(cc1)C#C
InChI:
1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H
InChI key:
XTKBMZQCDBHHKY-UHFFFAOYSA-N
Quality Level: __
Assay: 97%
refractive index: __
bp: __
density: __
SMILES string: Fc1ccc(C#C)c(F)c1
InChI: 1S/C8H4F2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H
InChI key: HRUJQXRGWQWYDH-UHFFFAOYSA-N
Quality Level:
__
Assay:
97%
refractive index:
__
bp:
__
density:
__
SMILES string:
Fc1ccc(C#C)c(F)c1
InChI:
1S/C8H4F2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H
InChI key:
HRUJQXRGWQWYDH-UHFFFAOYSA-N
Quality Level: 100
Assay: 98%
refractive index: __
bp: __
density: __
SMILES string: O.OS(=O)(=O)c1ccc(Br)cc1
InChI: 1S/C6H5BrO3S.H2O/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);1H2
InChI key: JHULXEZFSDUIRI-UHFFFAOYSA-N
Quality Level:
100
Assay:
98%
refractive index:
__
bp:
__
density:
__
SMILES string:
O.OS(=O)(=O)c1ccc(Br)cc1
InChI:
1S/C6H5BrO3S.H2O/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);1H2
InChI key:
JHULXEZFSDUIRI-UHFFFAOYSA-N
Quality Level: __
Assay: __
refractive index: __
bp: __
density: __
SMILES string: __
InChI: __
InChI key: __
Quality Level:
__
Assay:
__
refractive index:
__
bp:
__
density:
__
SMILES string:
__
InChI:
__
InChI key:
__