(2S,4S)-1-(2-chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile

Name: (2S,4S)-1-(2-chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile
Brand: ChemScene
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CAS No. 596817-06-0
Cat. No. CS-0317492
Purity≥98%
MDL No.None

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Type	HazMat Fee
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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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(2S,4S)-1-(2-chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile|CS-0317492

Structure of 596817-06-0

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General Information

CAS No. 596817-06-0
Cat. No. CS-0317492
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₈ClFN₂O
Molecular Weight 190.60
Synonym(s) 2-Pyrrolidinecarbonitrile,1-(chloroacetyl)-4-fluoro-,(2S,4S)-
SMILES C1[C@@H](CN([C@@H]1C#N)C(=O)CCl)F

Safety Information

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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

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Computational Chemistry Data

TPSA 44.1
LogP 0.68778
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Key Words

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(2S,4S)-1-(2-chloroacetyl)-4-fluoropyrrolidine-2-carbonitrile

CAS No. 596817-06-0

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