3-Amino-5-methylbenzotrifluoride

Name: 3-Amino-5-methylbenzotrifluoride
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CAS No. 96100-12-8
Cat. No. CS-W005539
Purity≥96%
MDL No.MFCD01631580

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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+
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3-Amino-5-methylbenzotrifluoride|CS-W005539

Structure of 96100-12-8

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General Information

CAS No. 96100-12-8
Cat. No. CS-W005539
Purity ≥96%
MDL No. MFCD01631580
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈F₃N
Molecular Weight 175.15
Synonym(s) BENZENAMINE, 3-METHYL-5-TRIFLUOROMETHYL
SMILES FC(F)(F)C1=CC(C)=CC(N)=C1

Description

3-Amino-5-methylbenzotrifluoride delivers a trifluoromethyl group flanked by electron-donating amino and methyl substituents, enabling enhanced metabolic stability and lipophilic character in medicinal chemistry scaffolds. This aryl trifluoromethyl compound integrates readily into bioactive molecules requiring robust functional group tolerance under standard coupling conditions.

Application

3-Amino-5-methylbenzotrifluoride serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling direct introduction of trifluoromethylated aromatic scaffolds. Its ortho-amino and meta-methyl groups provide complementary reactivity for coupling reactions, including Suzuki-Miyaura and Buchwald-Hartwig transformations, with excellent functional group tolerance and bench stability.

Synthesis

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- In-stock
  
  67169-22-6
- In-stock
  
  87617-23-0
- In-stock
  
  96100-12-8
References
- Journal of Organic Chemistry, , vol. 51, # 20 p. 3903 - 3904

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-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 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-5-methylbenzotrifluoride

CAS No. 96100-12-8

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