2-Bromo-6-chloro-3-methylphenol

Name: 2-Bromo-6-chloro-3-methylphenol
Brand: ChemScene
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CAS No. 1211512-31-0
Cat. No. CS-0193309
Molecule weight221.48
Purity≥97%
MDL No.None

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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-6-chloro-3-methylphenol|CS-0193309

Structure of 1211512-31-0

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General Information

CAS No. 1211512-31-0
Cat. No. CS-0193309
Purity ≥97%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆BrClO
Molecular Weight 221.48
Synonym(s) None
SMILES OC1=C(Cl)C=CC(C)=C1Br

Description

2-Bromo-6-chloro-3-methylphenol features a trifunctional aromatic core with bromo, chloro, and methyl substituents positioned for selective downstream coupling. The electron-withdrawing halogens enhance reactivity in cross-coupling processes, while the methyl group provides steric stabilization. This compound serves as a key intermediate in agrochemical and pharmaceutical synthesis, offering predictable regioselectivity under standard conditions.

Application

2-Bromo-6-chloro-3-methylphenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling selective functionalization at the phenolic hydroxyl group. Its ortho-bromine and meta-chlorine substituents provide orthogonal reactivity for cross-coupling reactions, while the methyl group enhances lipophilicity and metabolic stability. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic workflows and scale-up applications.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 20.23
LogP 3.11652
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-6-chloro-3-methylphenol

CAS No. 1211512-31-0

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