5-Chloro-1,3-benzoxazol-7-amine

Name: 5-Chloro-1,3-benzoxazol-7-amine
Brand: ChemScene
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CAS No. 1225672-06-9
Cat. No. CS-0060206
Molecule weight168.58
Purity≥95%
MDL No.MFCD16468498

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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+
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5-Chloro-1,3-benzoxazol-7-amine|CS-0060206

Structure of 1225672-06-9

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General Information

CAS No. 1225672-06-9
Cat. No. CS-0060206
Purity ≥95%
MDL No. MFCD16468498
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅ClN₂O
Molecular Weight 168.58
Synonym(s) 5-Chlorobenzo[d]oxazol-7-amine
SMILES C1=C(C=C2C(=C1N)OC=N2)Cl

Description

5-Chloro-1,3-benzoxazol-7-amine features a chlorinated benzoxazole core with a primary amine at the 7-position, enabling direct functionalization in synthetic routes. The electron-deficient heterocycle enhances reactivity in coupling processes, while the bench-stable amine facilitates straightforward derivatization under standard conditions.

Application

5-Chloro-1,3-benzoxazol-7-amine serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through nucleophilic substitution and palladium-catalyzed coupling reactions. Its chlorine atom at the 5-position provides a reliable handle for further functionalization, while the amine group facilitates conjugation or derivatization. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis workflows in API development.

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 52.05
LogP 2.0634
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Benzooxazole compounds

Key Words

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5-Chloro-1,3-benzoxazol-7-amine

CAS No. 1225672-06-9

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