1,3-Diethyl 2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Name: 1,3-Diethyl 2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
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CAS No. 4759-57-3
Cat. No. CS-0238583
Molecule weight427.29
Purity≥95%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1,3-Diethyl 2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate|CS-0238583

Structure of 4759-57-3

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General Information

CAS No. 4759-57-3
Cat. No. CS-0238583
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₉H₂₃BrO₆
Molecular Weight 427.29
Synonym(s) diethyl 2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
SMILES CCOC(=O)C1C(=O)CC(C)(C(C1C2=CC=C(C=C2)Br)C(=O)OCC)O

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

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Computational Chemistry Data

TPSA 89.9
LogP 2.6151
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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1,3-Diethyl 2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

CAS No. 4759-57-3

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