1-Nitro-4-(octyloxy)benzene structure

1-Nitro-4-(octyloxy)benzene

1-nitro-4-octoxybenzene

Also Known As: 4-Nitrophenyl octyl ether|1-Nitro-4-(octyloxy)benzene|1-nitro-4-octoxybenzene|p-Octyloxynitrobenzene|p-nitrophenoxyoctane|p-Nitrophenyl octyl ether|p-nitrophenoxvoctane|Benzene, 1-nitro-4-(octyloxy)-|Octyl 4-nitrophenyl ether|1-nitro-4-octoxy-benzene|4-Octyloxy-1-nitrobenzene|(4-Nitrophenyl)octyl ether|1-(Octyloxy)-4-nitrobenzene|4-NITROPHENYLOCTYLETHER|Benzene,1-nitro-4-(octyloxy)|1-Nitro-4-(octyloxy)benzene #|Benzene,1-nitro-4-(octyloxy)-|X-4000

CAS: 49562-76-7
Molecular Formula C14H21NO3
Molecular Weight 251.15215 g/mol
LogP 5.3
Topological Polar Surface Area 55.1 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 8
Exact Mass 251.15215
Monoisotopic Mass 251.15215
Heavy Atoms 18
Complexity 220.0

Chemical Identifiers

CAS Number 49562-76-7
SMILES CCCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
InChIKey WTTNDGCMXADGCJ-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.

Analytical Reagents (32 patents) Biotechnology (17 patents) Catalysts (1 patents) Heterocyclic Building Blocks (6 patents) Organic Building Blocks (10 patents) Pharmaceutical Intermediates (6 patents) Plastic Additives (1 patents) Polymer Intermediates (5 patents) Specialty Chemicals (11 patents)

Product Overview

1-Nitro-4-(octyloxy)benzene (CAS 49562-76-7), with molecular formula C14H21NO3 and molecular weight 251.15215 g/mol. IUPAC: 1-nitro-4-octoxybenzene.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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