3,5-Bis(2-cyanoprop-2-yl)toluene

CAS No. 120511-72-0
Cat. No. CS-B0753
Purity≥98%
MDL No.MFCD08062446

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3,5-Bis(2-cyanoprop-2-yl)toluene|CS-B0753

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Application

3,5-Bis(2-cyanoprop-2-yl)toluene serves as a sterically hindered, bench-stable building block for the synthesis of functionalized aromatic scaffolds. Its two bulky 2-cyanoprop-2-yl groups provide enhanced solubility and facilitate purification, while the nitrile functionalities enable downstream transformations including hydrolysis to carboxylic acids or reduction to primary amines. The molecule functions effectively in standard coupling protocols and supports the construction of complex heterocyclic systems through sequential functionalization.

General Information

CAS No. 120511-72-0
Cat. No. CS-B0753
Purity ≥98%
MDL No. MFCD08062446
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₈N₂
Molecular Weight 226.32
Synonym(s) α,α,α',α'-5-Pentamethyl-1,3-benzenediacetonitrile
SMILES CC1=CC(C(C)(C#N)C)=CC(C(C)(C#N)C)=C1

Computational Chemistry Data

TPSA 47.58
LogP 3.59738
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

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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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3,5-Bis(2-cyanoprop-2-yl)toluene

CAS No. 120511-72-0

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