Lot numbers can be found on the outside label of a product:
3-Chloro-5-nitrobenzoic acid
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CAS No. 34662-36-7
- Cat. No. CS-0042806
- Purity≥96%
- MDL No.MFCD09263224
*For research and further manufacturing use only, not for direct human use.
Structure of 34662-36-7
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General Information
- CAS No. 34662-36-7
- Cat. No. CS-0042806
- Purity ≥96%
- MDL No. MFCD09263224
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₄ClNO₄
- Molecular Weight 201.56
- Synonym(s) 3-Nitro-5-chlorobenzoic acid
- SMILES O=C(O)C1=CC([N+]([O-])=O)=CC(Cl)=C1
Description
3-Chloro-5-nitrobenzoic acid features a conjugated aromatic core bearing a chlorine substituent at the meta position relative to the carboxylic acid and a nitro group at the para position. This electron-deficient scaffold enables direct coupling in amide formation and serves as a key building block for bioactive heterocycles and functionalized materials under standard conditions.
Application
3-Chloro-5-nitrobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the aromatic ring through nucleophilic substitution or transition-metal-catalyzed coupling. The ortho-chloro and meta-nitro groups provide complementary reactivity for sequential derivatization, while the carboxylic acid facilitates amide formation, esterification, or salt generation. Bench-stable and readily purified by recrystallization, it functions effectively in standard synthetic workflows requiring electron-deficient aromatics with orthogonal reactive handles.
Synthesis
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Route1
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618-84-8 - ~%
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In-stock
34662-36-7
References
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WO2007/28789 A1, ; Page/Page column 35 ;
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Route2
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In-stock
101084-81-5 - ~97%
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In-stock
34662-36-7
References
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Wu, Hong; Hynes Jr., John Organic Letters, 2010 , vol. 12, # 6 p. 1192 - 1195
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Route3
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In-stock
34662-30-1 - ~%
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In-stock
34662-36-7
References
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US2008/188450 A1, ; Page/Page column 14 ;
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Safety Information
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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 80.44
- LogP 1.9464
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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