3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-1H-pyrazole-4-carboxaldehyde

Name: 3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-1H-pyrazole-4-carboxaldehyde
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CAS No. 957023-35-7
Cat. No. CS-0235111
Purity≥95%
MDL No.None

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3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-1H-pyrazole-4-carboxaldehyde|CS-0235111

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General Information

CAS No. 957023-35-7
Cat. No. CS-0235111
Purity ≥95%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₄N₂O₃
Molecular Weight 258.27
Synonym(s) 3-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-1-methyl-1H-pyrazol-4-carbaldehyde
SMILES O=CC1=CN(C)N=C1C2=CC=C(OCCCO3)C3=C2

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 : 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 53.35
LogP 2.0609
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-1H-pyrazole-4-carboxaldehyde

CAS No. 957023-35-7

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