4-(tert-Butyl)-2-nitrophenol

Name: 4-(tert-Butyl)-2-nitrophenol
Brand: ChemScene
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CAS No. 3279-07-0
Cat. No. CS-W010626
Purity≥97%
MDL No.MFCD00191888

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 3279-07-0

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Description

4-(tert-Butyl)-2-nitrophenol features a sterically hindered tert-butyl group flanking an electron-deficient nitro-substituted aromatic ring, enabling stable incorporation into synthetic sequences. This configuration enhances solubility and resistance to decomposition under standard bench conditions, facilitating efficient use in pharmaceutical intermediates and functional material synthesis.

Application

4-(tert-Butyl)-2-nitrophenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct access to substituted anilines via selective reduction. Its tert-butyl group provides steric shielding and enhanced solubility, while the ortho-nitro and phenolic functionalities offer complementary reactivity for sequential transformations. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for multi-step syntheses requiring functional group tolerance and predictable regiochemistry.

General Information

CAS No. 3279-07-0
Cat. No. CS-W010626
Purity ≥97%
MDL No. MFCD00191888
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₃NO₃
Molecular Weight None
Synonym(s) 4-tert-Butyl-2-nitrophenol
SMILES OC1=CC=C(C(C)(C)C)C=C1[N+]([O-])=O

Computational Chemistry Data

TPSA 63.37
LogP 2.5979
H_Acceptors 3
H_Donors 1
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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352

Quality Control

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Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(tert-Butyl)-2-nitrophenol

CAS No. 3279-07-0

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