4-(2-Hydroxyethyl)-5-methyl-1-((2-nitrophenyl)sulfonyl)-1,2-dihydro-3H-pyrazol-3-one

Name: 4-(2-Hydroxyethyl)-5-methyl-1-((2-nitrophenyl)sulfonyl)-1,2-dihydro-3H-pyrazol-3-one
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CAS No. 860611-74-1
Cat. No. CS-0546066
Molecule weight327.31
Purity≥98%
MDL No.None

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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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4-(2-Hydroxyethyl)-5-methyl-1-((2-nitrophenyl)sulfonyl)-1,2-dihydro-3H-pyrazol-3-one|CS-0546066

Structure of 860611-74-1

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General Information

CAS No. 860611-74-1
Cat. No. CS-0546066
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₃N₃O₆S
Molecular Weight 327.31
Synonym(s) 4-(2-HYDROXYETHYL)-5-METHYL-1-[(2-NITROPHENYL)SULFONYL]-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
SMILES CC1=C(C(=O)NN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCO

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 135.3
LogP 0.16482
H_Acceptors 7
H_Donors 2
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Sulfone

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(2-Hydroxyethyl)-5-methyl-1-((2-nitrophenyl)sulfonyl)-1,2-dihydro-3H-pyrazol-3-one

CAS No. 860611-74-1

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