Tert-butyl 2,3,4,5,6-pentafluorobenzoate

Name: Tert-butyl 2,3,4,5,6-pentafluorobenzoate
Brand: ChemScene
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CAS No. 98040-93-8
Cat. No. CS-0569871
Molecule weight268.18
Purity≥98%
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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Tert-butyl 2,3,4,5,6-pentafluorobenzoate|CS-0569871

Structure of 98040-93-8

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General Information

CAS No. 98040-93-8
Cat. No. CS-0569871
Purity ≥98%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₉F₅O₂
Molecular Weight 268.18
Synonym(s) Benzoic acid, pentafluoro-, 1,1-dimethylethyl ester
SMILES O=C(OC(C)(C)C)C1=C(F)C(F)=C(F)C(F)=C1F

Synthesis

Route1
- In-stock
  
  24424-99-5
- In-stock
  
  602-94-8
- ~80%
- 98040-93-8
References
- Senaweera, Sameera M.; Singh, Anuradha; Weaver, Jimmie D. Journal of the American Chemical Society, 2014 , vol. 136, # 8 p. 3002 - 3005
Route2
- 2251-50-5
- 1907-33-1
- ~74%
- 98040-93-8
References
- Davies, Lawrence C.; Friedlos, Frank; Hedley, Douglas; Martin, Jan; Ogilvie, Lesley M.; Scanlon, Ian J.; Springer, Caroline J. Journal of Medicinal Chemistry, 2005 , vol. 48, # 16 p. 5321 - 5328

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 26.3
LogP 3.3374
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Tert-butyl 2,3,4,5,6-pentafluorobenzoate

CAS No. 98040-93-8

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