2-Bromo-2-methylpropanenitrile

Name: 2-Bromo-2-methylpropanenitrile
Brand: ChemScene
Availability: InStock
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CAS No. 41658-69-9
Cat. No. CS-0100471
Purity≥97%
MDL No.MFCD25984182

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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+

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2-Bromo-2-methylpropanenitrile|CS-0100471

Structure of 41658-69-9

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Description

2-Bromo-2-methylpropanenitrile is a sterically hindered nitrile bearing a pendant bromide, enabling selective alkylation reactions under mild conditions. This bench-stable reagent integrates readily into synthetic sequences requiring controlled carbon–carbon bond formation.

Application

2-Bromo-2-methylpropanenitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to quaternary carbon centers via nucleophilic substitution. Its tertiary bromide functionality reacts readily with amines, thiols, and stabilized carbanions under mild conditions, offering high chemoselectivity and excellent functional group tolerance. The nitrile group provides additional handles for downstream transformations, including hydrolysis to carboxylic acids or reduction to aldehydes. Bench-stable and easily purified by distillation, it facilitates reliable scale-up in process development and API intermediate synthesis.

General Information

CAS No. 41658-69-9
Cat. No. CS-0100471
Purity ≥97%
MDL No. MFCD25984182
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₆BrN
Molecular Weight 148.00
Synonym(s) None
SMILES CC(C)(Br)C#N

Computational Chemistry Data

TPSA 23.79
LogP 1.68348
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS02,GHS06
Signal Word : Danger	UN#: 1992
Class : 3,6.1	Packing Group : Ⅲ
Hazard Statements : H225-H301-H312-H315-H319-H332-H335
Precautionary Statements : P210-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P370+P378-P405-P501

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Fatty chain compounds

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2-Bromo-2-methylpropanenitrile

CAS No. 41658-69-9

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