1-(Tert-butyl)-2-nitrobenzene

Name: 1-(Tert-butyl)-2-nitrobenzene
Brand: ChemScene
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CAS No. 1886-57-3
Cat. No. CS-0328432
Purity≥96%
MDL No.MFCD00082705

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-(Tert-butyl)-2-nitrobenzene|CS-0328432

Structure of 1886-57-3

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Description

1-(Tert-butyl)-2-nitrobenzene features a sterically hindered tert-butyl group flanking an electron-deficient nitro moiety, enabling selective functionalization in electrophilic aromatic substitution. This robust scaffold delivers enhanced stability under standard conditions and facilitates efficient coupling in multi-step synthesis.

Application

1-(Tert-butyl)-2-nitrobenzene serves as a valuable building block in synthetic organic chemistry, enabling regioselective functionalization of the aromatic ring via directed ortho-metalation. Its tert-butyl group provides steric bulk and enhances bench stability, while the nitro group functions as a strong electron-withdrawing director for subsequent transformations. This compound facilitates efficient access to substituted benzenes and heterocyclic scaffolds commonly found in pharmaceutical intermediates.

General Information

CAS No. 1886-57-3
Cat. No. CS-0328432
Purity ≥96%
MDL No. MFCD00082705
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₃NO₂
Molecular Weight None
Synonym(s) 1-tert-Butyl-2-nitrobenzene
SMILES CC(C)(C)C1=CC=CC=C1[N+](=O)[O-]

Computational Chemistry Data

TPSA 43.14
LogP 2.8923
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

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

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(Tert-butyl)-2-nitrobenzene

CAS No. 1886-57-3

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