1-Methyl-4-(2,2,2-trifluoroethyl)benzene

Name: 1-Methyl-4-(2,2,2-trifluoroethyl)benzene
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CAS No. 50562-01-1
Cat. No. CS-0323034
Molecule weight174.16
Purity≥95%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-Methyl-4-(2,2,2-trifluoroethyl)benzene|CS-0323034

Structure of 50562-01-1

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General Information

CAS No. 50562-01-1
Cat. No. CS-0323034
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉F₃
Molecular Weight 174.16
Synonym(s) 4-(2,2,2-trifluoroethyl)toluene
SMILES CC1=CC=C(C=C1)CC(F)(F)F

Synthesis

Route1
- 28321-07-5
- ~85%
- 50562-01-1
References
- Lee, Chuan-Chen; Lin, Shaw-Tao Journal of Chemical Research - Part S, 2000 , # 3 p. 142 - 144
Route2
- 84877-44-1
- ~%
- 50562-01-1
References
- DePuy,C.H.; Schultz,A.L. Journal of Organic Chemistry, 1974 , vol. 39, # 7 p. 878 - 881
Route3
- 2201-10-7
- ~12%
- 50562-01-1
- 114980-32-4
References
- Ando, Akira; Miki, Takuichi; Kumadaki, Itsumaro Journal of Organic Chemistry, 1988 , vol. 53, # 15 p. 3637 - 3639

Safety Information

Download SDS

GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

TPSA 0
LogP 3.09982
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Methyl-4-(2,2,2-trifluoroethyl)benzene

CAS No. 50562-01-1

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