Lot numbers can be found on the outside label of a product:
Dimethyl 2-nitroterephthalate
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CAS No. 5292-45-5
- Cat. No. CS-W014660
- Purity≥98%
- MDL No.MFCD00008422
*For research and further manufacturing use only, not for direct human use.
Structure of 5292-45-5
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General Information
- CAS No. 5292-45-5
- Cat. No. CS-W014660
- Purity ≥98%
- MDL No. MFCD00008422
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₉NO₆
- Molecular Weight 239.18
- Synonym(s) Nitroterephthalic Acid Dimethyl Ester
- SMILES O=C(C1=CC=C(C(OC)=O)C=C1[N+]([O-])=O)OC
Description
Dimethyl 2-nitroterephthalate features a para-disubstituted aromatic core bearing both methyl ester and electron-deficient nitro groups, enabling efficient incorporation into conjugated polymers and functional materials. This bench-stable diester serves as a key building block for advanced organic semiconductors and photoresponsive architectures.
Application
Dimethyl 2-nitroterephthalate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic scaffolds. Its dual ester groups and ortho-nitro substituent facilitate sequential transformations, including reduction to diamines and further coupling reactions. The compound exhibits excellent bench stability, ease of purification, and compatibility with standard reaction conditions, making it well-suited for the construction of heterocyclic systems and advanced intermediates in medicinal chemistry and materials science.
Synthesis
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Route1
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In-stock
120-61-6 - ~99%
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In-stock
5292-45-5
References
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Nose; Suzuki Journal of Organic Chemistry, 2001 , vol. 66, # 12 p. 4356 - 4360
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Route2
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67-56-1 -
In-stock
610-29-7 - ~75%
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In-stock
5292-45-5
References
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Lee, Hanna; Chung, Yun Mi; Ahn, Kyo Han Tetrahedron Letters, 2008 , vol. 49, # 38 p. 5544 - 5547
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Route3
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In-stock
610-29-7
- ~%
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In-stock
5292-45-5
References
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Monatshefte fuer Chemie, , vol. 22, p. 785 Monatshefte fuer Chemie, , vol. 25, p. 478
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 95.74
- LogP 1.168
- H_Acceptors 6
- H_Donors 0
- Rotatable_Bonds 3
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