3-Chloro-5-formylbenzonitrile

Name: 3-Chloro-5-formylbenzonitrile
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CAS No. 1205513-88-7
Cat. No. CS-0098687
Purity≥96%
MDL No.MFCD18392412

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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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3-Chloro-5-formylbenzonitrile|CS-0098687

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General Information

CAS No. 1205513-88-7
Cat. No. CS-0098687
Purity ≥96%
MDL No. MFCD18392412
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄ClNO
Molecular Weight 165.58
Synonym(s) 3-CHLORO-5-CYANOBENZALDEHYDE
SMILES N#CC1=CC(C=O)=CC(Cl)=C1

Description

3-Chloro-5-formylbenzonitrile features a trifunctional aromatic core with complementary reactivity at the formyl, nitrile, and chloro positions. This electron-deficient scaffold enables direct coupling in cross-coupling reactions and serves as a key intermediate for bioactive molecule synthesis. The ortho-chloro substituent enhances electrophilicity while maintaining bench-stable handling under standard conditions.

Application

3-Chloro-5-formylbenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted heterocycles via nucleophilic addition and condensation reactions. The ortho-directed reactivity of the formyl and nitrile groups facilitates sequential functionalization, while the chloro substituent supports palladium-catalyzed cross-coupling. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for multi-step synthesis and process development.

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 : P261-P280-P304+P340-P405-P501

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Computational Chemistry Data

TPSA 40.86
LogP 2.02418
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Chloro-5-formylbenzonitrile

CAS No. 1205513-88-7

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