3-Bromo-5-ethylaniline

Name: 3-Bromo-5-ethylaniline
Brand: ChemScene
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CAS No. 123158-68-9
Cat. No. CS-W021866
Purity≥96%
MDL No.MFCD16659612

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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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General Information

CAS No. 123158-68-9
Cat. No. CS-W021866
Purity ≥96%
MDL No. MFCD16659612
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₀BrN
Molecular Weight 200.08
Synonym(s) 3-Bromo-5-ethyl-benzenamine
SMILES NC1=CC(CC)=CC(Br)=C1

Description

3-Bromo-5-ethylaniline features a bromine atom at the meta position relative to the amino group and an ethyl substituent at the para position, creating a sterically accessible site for electrophilic substitution. This electron-rich aromatic scaffold enables direct coupling in palladium-catalyzed cross-coupling reactions under standard conditions. The compound exhibits bench-stable handling characteristics and integrates readily into complex molecular architectures requiring defined regiochemistry.

Application

3-Bromo-5-ethylaniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the aromatic ring. The bromo group facilitates palladium-catalyzed cross-coupling reactions, while the aniline functionality supports electrophilic substitution and amide formation. Its bench-stable nature and compatibility with common protecting groups streamline multi-step synthesis.

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 : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 26.02
LogP 2.5937
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Bromo-5-ethylaniline

CAS No. 123158-68-9

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