2-Hydroxy-3-nitrobenzonitrile

Name: 2-Hydroxy-3-nitrobenzonitrile
Brand: ChemScene
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CAS No. 28177-79-9
Cat. No. CS-0102183
Purity≥96%
MDL No.MFCD00234257

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2-Hydroxy-3-nitrobenzonitrile|CS-0102183

Structure of 28177-79-9

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Description

2-Hydroxy-3-nitrobenzonitrile features a strategically positioned hydroxyl group flanked by electron-withdrawing nitro and nitrile functionalities, enabling its use in constructing complex heterocycles. This ortho-substituted scaffold offers enhanced reactivity in coupling processes under standard conditions.

Application

2-Hydroxy-3-nitrobenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted heterocycles and functionalized aromatic scaffolds. Its ortho-directed reactivity facilitates efficient cyclizations and metal-catalyzed couplings. The molecule exhibits good bench stability, tolerates common functional groups, and simplifies purification due to its crystalline nature and distinct polarity profile.

General Information

CAS No. 28177-79-9
Cat. No. CS-0102183
Purity ≥96%
MDL No. MFCD00234257
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄N₂O₃
Molecular Weight 164.12
Synonym(s) 2-HYDROXY-3-NITRO-BENZONITRILE
SMILES N#CC1=CC=CC([N+]([O-])=O)=C1O

Computational Chemistry Data

TPSA 87.16
LogP 1.17208
H_Acceptors 4
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 : H302
Precautionary Statements : P264-P270-P330-P501

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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Hydroxy-3-nitrobenzonitrile

CAS No. 28177-79-9

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