4-Hydroxy-2-(trifluoromethyl)benzonitrile

Name: 4-Hydroxy-2-(trifluoromethyl)benzonitrile
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CAS No. 320-42-3
Cat. No. CS-W016862
Purity≥97%
MDL No.MFCD06797340

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-Hydroxy-2-(trifluoromethyl)benzonitrile|CS-W016862

Structure of 320-42-3

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General Information

CAS No. 320-42-3
Cat. No. CS-W016862
Purity ≥97%
MDL No. MFCD06797340
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄F₃NO
Molecular Weight 187.12
Synonym(s) 4-Cyano-3-(trifluoromethyl)phenol, 2-Cyano-5-hydroxybenzotrifluoride
SMILES N#CC1=CC=C(O)C=C1C(F)(F)F

Description

4-Hydroxy-2-(trifluoromethyl)benzonitrile features a trifluoromethyl group enhancing electron-withdrawal and metabolic stability, while the phenolic hydroxyl enables hydrogen bonding and further functionalization. This scaffold integrates readily into bioactive molecules and serves as a key building block in medicinal chemistry.

Application

4-Hydroxy-2-(trifluoromethyl)benzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocycles and functionalized aryl scaffolds. The phenolic hydroxyl group facilitates direct derivatization or protection, while the ortho-trifluoromethyl and para-cyano groups offer strong electron-withdrawing character and compatibility with Suzuki-Miyaura and other cross-coupling reactions. Its bench-stable nature and clean purification profile support scalable synthesis and downstream applications in API development.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 44.02
LogP 2.28268
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

320-42-3 sigma320-42-3 manufacturer320-42-3 price320-42-3 structure320-42-3 SDSbuy 320-42-3320-42-3 supplier320-42-3 uses320-42-3 molecular weightprice of 320-42-3320-42-3 chemical name formula of 320-42-3

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4-Hydroxy-2-(trifluoromethyl)benzonitrile

CAS No. 320-42-3

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