2-Chloro-1,3-dimethylbenzene

Name: 2-Chloro-1,3-dimethylbenzene
Brand: ChemScene
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CAS No. 6781-98-2
Cat. No. CS-W014356
Purity≥98%
MDL No.MFCD00000565

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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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Structure of 6781-98-2

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Description

2-Chloro-1,3-dimethylbenzene is a sterically hindered aromatic compound featuring ortho-chloro and two methyl groups at meta positions. This configuration imparts enhanced stability and directs electrophilic substitution to the less substituted ring carbon. The molecule serves as a key intermediate in pharmaceutical synthesis and materials chemistry due to its predictable reactivity under standard conditions.

Application

2-Chloro-1,3-dimethylbenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering predictable reactivity in palladium-catalyzed cross-coupling reactions. Its ortho-chloro substitution enables efficient functionalization while the methyl groups provide steric and electronic modulation. The compound exhibits excellent bench stability and compatibility with standard purification techniques, facilitating its use in multi-step syntheses of complex aromatic scaffolds.

General Information

CAS No. 6781-98-2
Cat. No. CS-W014356
Purity ≥98%
MDL No. MFCD00000565
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₉Cl
Molecular Weight 140.61
Synonym(s) 2,6-Dimethylchlorobenzene2-Chloro-m-xylene
SMILES CC1=C(Cl)C(C)=CC=C1

Computational Chemistry Data

TPSA 0
LogP 2.95684
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Chloro-1,3-dimethylbenzene

CAS No. 6781-98-2

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