2-Nitroresorcinol - ≥99%(T) , CAS No.601-89-8

CAS: 601-89-8 Cat. No.: N130004 Formula: O₂NC₆H₃-1,3-(OH)₂ Molecular Weight: 155.11 Beilstein Registry Number: 2048819 EC Number: 210-010-9

GRADE & PURITY ≥99%(T)

Synonyms

7DA96G63WU | A832638 | 2-Nitro-1,3-benzenediol | Q209452 | 2,6-Dihydroxynitrobenzene | F2147-0941 | InChI=1/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9 | NSC1542 | NSC-1542 | AI3-52603 | NSC 1542 | AMY2405 | EN300-123981 | AP-065/41884104 | Resorcinol, 2-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

7DA96G63WU | A832638 | 2-Nitro-1,3-benzenediol | Q209452 | 2,6-Dihydroxynitrobenzene | F2147-0941 | InChI=1/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9 | NSC1542 | NSC-1542 | AI3-52603 | NSC 1542 | AMY2405 | EN300-123981 | AP-065/41884104 | Resorcinol, 2-

Specifications & Purity

≥99%(T)

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

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

Purity

≥99%(T)

Names and Identifiers

• Pubchem Sid: 504752190
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752190
• Canonical Smiles: C1=CC(=C(C(=C1)O)[N+](=O)[O-])O
• IUPAC Name: 2-nitrobenzene-1,3-diol
• InChIKey: ZLCPKMIJYMHZMJ-UHFFFAOYSA-N
• INCHI: 1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H
• Isomeric SMILES: C1=CC(=C(C(=C1)O)[N+](=O)[O-])O
• WGK Germany: 3
• Molecular Weight: 155.11
• Beilstein: 2048819
• Reaxy-Rn: 2048819
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048819&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrobenzenes Resorcinols Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Solubility: Slightly soluble in water. Solubility in methanol is almost transparent.
• Boil Point(°C): 234 °C
• Melt Point(°C): 81-83°C
• Molecular Weight: 155.110 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 155.022 Da
• Monoisotopic Mass: 155.022 Da
• Topological Polar Surface Area: 86.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 145.000
• 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. Siyuan Zhang, Jiao He, Xinjian Cheng.  (2023)  Amphiphilic Hyperbranched Polymers for Selective and Sensitive Detection of 4-Nitrophenol.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.3c01515]

2. Xiaojuan Niu, Huanhuan He, Hang Ran, Zhen Wu, Yue Tang, Yuangen Wu.  (2023)  Rapid colorimetric sensor for ultrasensitive and highly selective detection of Fumonisin B1 in cereal based on laccase-mimicking activity of silver phosphate nanoparticles.  FOOD CHEMISTRY,      [PMID:37487390] [10.1016/j.foodchem.2023.136903]

3. Die Wang, Luminita Marin, Xinjian Cheng.  (2022)  Chitosan-bodipy macromolecular fluorescent probes prepared by click reactions for highly sensitive and selective recognition of 2,4-dinitrophenylhydrazine.  NEW JOURNAL OF CHEMISTRY,  46  (43): (20699-20710).  [PMID:] [10.1039/D2NJ03923K]

4. Yongli Liu, Guobei Ge, Huanjia Liu, Yuxin Wang, Penghui Zhou, Bin Li, Guifen Zhu.  (2024)  Fast and eco-friendly synthesis of carbon dots from pinecone for highly effective detection of 2,4,6-trinitrophenol in environmental samples.  ENVIRONMENTAL TECHNOLOGY,      [PMID:38887014] [10.1080/09593330.2024.2367725]

5. Siyu Wu, Xiaojuan Niu, Jiali Chen, Wangni Meng, Han Tao, Jianli Zhou, Yuangen Wu.  (2025)  Design of Mn-Car multivalent laccase mimics through self-assembled coordination and its application for ultrasensitive colorimetric detection of kanamycin in food.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.114523]

6. Sun Li, Li Haonan, Lv Pengcheng, Chen Jian.  (2018)  Rapid Room-Temperature Synthesis of Gold Nanoparticles Using Sargentgloryvine Stem Extract and Their Photocatalytic Activity.  Journal of Inorganic and Organometallic Polymers and Materials,  29  (1): (269-278).  [PMID:] [10.1007/s10904-018-0985-6]

7. Fan Fan, Jiao He, Junyu Chen, Xinjian Cheng.  (2025)  Polymeric fluorescent probes for the detection and removal of 4-nitrophenol.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2025.117008]

8. Yan Zhou, Jinlong Wang, Wangni Meng, Lian Xia, Yue Tang, Jianli Zhou, Yuangen Wu, Pengcheng Yan.  (2025)  Smartphone-assisted colorimetric aptasensor for detecting acetamiprid residue in food based on the enhanced laccase-mimic activity of spherical Ag2O nanoparticles.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.116715]

Frequently Asked Questions

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 601-89-8, the molecular formula is C6H5NO4, and the molecular weight is 155.11 g/mol. InChIKey ZLCPKMIJYMHZMJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.