3-Amino-4-methylbenzotrifluoride

Name: 3-Amino-4-methylbenzotrifluoride
Brand: ChemScene
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CAS No. 25449-96-1
Cat. No. CS-W017460
Purity≥98%
MDL No.MFCD00134580

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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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3-Amino-4-methylbenzotrifluoride|CS-W017460

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General Information

CAS No. 25449-96-1
Cat. No. CS-W017460
Purity ≥98%
MDL No. MFCD00134580
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈F₃N
Molecular Weight 175.15
Synonym(s) 5-Trifluoromethyl-o-toluidine
SMILES FC(F)(F)C1=CC=C(C)C(N)=C1

Description

3-Amino-4-methylbenzotrifluoride delivers a trifluoromethyl group flanked by electron-rich amine and methyl functionalities, enabling direct incorporation into complex scaffolds. This bench-stable aryl building block facilitates efficient diversification in medicinal chemistry and materials science applications.

Application

3-Amino-4-methylbenzotrifluoride serves as a versatile building block in medicinal chemistry, enabling direct incorporation of trifluoromethyl and amino functionalities into bioactive scaffolds. Its ortho-amino group facilitates electrophilic substitution and transition-metal-catalyzed coupling reactions, while the methyl substituent enhances metabolic stability. The compound exhibits good bench stability and compatibility with common protecting group strategies, facilitating efficient downstream functionalization in API development workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331-H335
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

TPSA 26.02
LogP 2.59602
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Amino-4-methylbenzotrifluoride

CAS No. 25449-96-1

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