2-Bromo-1-chloro-3-methylbenzene

Name: 2-Bromo-1-chloro-3-methylbenzene
Brand: ChemScene
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CAS No. 69190-56-3
Cat. No. CS-W007120
Molecule weight205.48
Purity≥98%
MDL No.MFCD00060645

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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-1-chloro-3-methylbenzene|CS-W007120

Structure of 69190-56-3

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General Information

CAS No. 69190-56-3
Cat. No. CS-W007120
Purity ≥98%
MDL No. MFCD00060645
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆BrCl
Molecular Weight 205.48
Synonym(s) 2-Bromo-3-chlorotoluene
SMILES CC1=CC=CC(Cl)=C1Br

Description

2-Bromo-1-chloro-3-methylbenzene features a tri-substituted aromatic core with distinct halogen and methyl functionalities, enabling selective coupling reactions in synthetic pathways. The ortho-bromo and meta-chloro arrangement provides controlled reactivity, while the methyl group enhances solubility and steric profile. This compound serves as a valuable building block for pharmaceutical intermediates and functional materials under standard conditions.

Application

2-Bromo-1-chloro-3-methylbenzene serves as a versatile ortho-halogenated aromatic building block for palladium-catalyzed cross-coupling reactions. Its complementary halogen reactivity enables selective functionalization at the bromine site, while the chloro and methyl groups provide orthogonal handles for further derivatization. The compound exhibits good bench stability and facilitates efficient synthesis of substituted biaryls and heterocycles under standard Suzuki, Stille, or Negishi conditions.

Synthesis

Route1
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  87-63-8
- ~%
- In-stock
  
  69190-56-3
References
- Journal of Organometallic Chemistry, , vol. 401, # 3 p. 261 - 272
Route2
- In-stock
  
  570-24-1
- ~%
- In-stock
  
  69190-56-3
References
- Journal of the Chemical Society, , vol. 85, p. 1269

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 0
LogP 3.41092
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-1-chloro-3-methylbenzene

CAS No. 69190-56-3

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