4-Hydroxy-3-nitrobenzaldehyde - ≥97%(GC) , CAS No.3011-34-5

CAS: 3011-34-5 Cat. No.: H156883 Molecular Weight: 167.12 Beilstein Registry Number: 2047880 EC Number: 221-141-6

GRADE & PURITY ≥97%(GC)

Synonyms

Z57313904 | A820204 | STK397481 | AKOS000120628 | DTXSID80184195 | H0924 | 4-formyl-2-nitro-phenolate;4-Hydroxy-3-nitrobenzaldehyde | PD182199 | 4-Hydroxy-3-nitrobenzaldehyde, 97% | BBL023246 | Benzaldehyde, 4-hydroxy-3-nitro- | NSC 138267 | PS-6187 | SY0

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

4-Hydroxy-3-nitrobenzaldehyde was used in the synthesis of:

· 4-hydroxy-3-nitrocinnamic acid

· solvated benzohydrazone derivatives: N′-(4-hydroxy-3-nitrobenzylidene)-3-methylbenzohydrazide-methanol-water

product description：

4-Hydroxy-3-nitrobenzaldehyde reacts with 3-bromo¬benzohydrazide in methanol to yield (E)-3-bromo-N′-(4-hydroxy-3-nitrobenzylidene)benzohydrazide.

Specifications

Synonyms

Z57313904 | A820204 | STK397481 | AKOS000120628 | DTXSID80184195 | H0924 | 4-formyl-2-nitro-phenolate;4-Hydroxy-3-nitrobenzaldehyde | PD182199 | 4-Hydroxy-3-nitrobenzaldehyde, 97% | BBL023246 | Benzaldehyde, 4-hydroxy-3-nitro- | NSC 138267 | PS-6187 | SY0

Specifications & Purity

≥97%(GC)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 504752869
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752869
• Canonical Smiles: C1=CC(=C(C=C1C=O)[N+](=O)[O-])O
• IUPAC Name: 4-hydroxy-3-nitrobenzaldehyde
• InChIKey: YTHJCZRFJGXPTL-UHFFFAOYSA-N
• INCHI: 1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H
• Isomeric SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])O
• WGK Germany: 3
• Molecular Weight: 167.12
• Beilstein: 2047880
• Reaxy-Rn: 2047884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047884&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzaldehydes
• Alternative Parents: Nitrophenols Hydroxybenzaldehydes Nitroaromatic compounds Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzaldehyde - Nitrophenol - Hydroxybenzaldehyde - Benzaldehyde - Nitroaromatic compound - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl-aldehyde - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Aldehyde - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzaldehydes. These are nitrobenzenes that carry an aldehyde group at any position of the benzene ring.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ABAT Tclin Gamma-amino-N-butyrate transaminase (140 Activities)

Discover Target: ABAT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Sensitive to air; sensitive to humidity
• Melt Point(°C): 140-142 °C (lit.)
• Molecular Weight: 167.120 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 167.022 Da
• Monoisotopic Mass: 167.022 Da
• Topological Polar Surface Area: 83.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 188.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Youbing Li, Chonglin Liu, Yunsheng Xu, Shuangfei Xiang, Wenjun Peng, Xianming Zhang, Minna Hakkarainen, Pengwu Xu, Weijun Yang, Piming Ma.  (2026)  Tuning Acylhydrazone Exchange Dynamics via Substituent Effects for Reprocessable and High-Resolution 3D Printable CANs.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c03980]

2. Qinglong Zhang, Wen Zheng, Wangyang Lu, Wenxing Chen.  (2026)  A Novel Benzimidazole-Containing Stabilized AB-Type Polybenzoxazole Monomer: Synthesis, Polymerization, and Performance.  POLYMERS FOR ADVANCED TECHNOLOGIES,  37  (3): (e70553).  [PMID:] [10.1002/pat.70553]