3-Chloro-2-nitrotoluene

Name: 3-Chloro-2-nitrotoluene
Brand: ChemScene
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CAS No. 5367-26-0
Cat. No. CS-D1523
Purity≥98%
MDL No.MFCD04117977

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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. 5367-26-0
Cat. No. CS-D1523
Purity ≥98%
MDL No. MFCD04117977
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆ClNO₂
Molecular Weight 171.58
Synonym(s) 4-[5-(4-nitrophenoxy)pentyl]morpholine
SMILES CC1=CC=CC(Cl)=C1[N+]([O-])=O

Description

3-Chloro-2-nitrotoluene features a chlorinated benzene ring with adjacent nitro and methyl groups, enabling selective electrophilic substitution and serving as a key intermediate in pharmaceutical and agrochemical synthesis. The ortho-nitro group enhances reactivity while the chlorine offers a handle for further functionalization.

Application

3-Chloro-2-nitrotoluene serves as a versatile building block in synthetic organic chemistry, enabling selective functionalization at the aromatic ring due to the orthogonal reactivity of the chloro and nitro groups. Its bench-stable nature and compatibility with standard cross-coupling and reduction protocols facilitate efficient access to substituted anilines, heterocycles, and pharmaceutical intermediates.

Safety Information

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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 43.14
LogP 2.55662
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Chloro-2-nitrotoluene

CAS No. 5367-26-0

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