2-Aminobenzenesulfonic Acid - ≥99% , CAS No.88-21-1

CAS: 88-21-1 Cat. No.: A107208 Molecular Weight: 173.19 Beilstein Registry Number: 1309204 EC Number: 201-810-9

GRADE & PURITY ≥99%

Synonyms

1-aminobenzene-2-sulphonic acid | Anilino-o-sulphonic acid | 2-aminobenzene-1-sulfonic acid | Benzenesulfonic acid, 2-amino- | 1-Aminobenzene-2-sulfonic acid | CAS-88-21-1 | HY-W015302 | AC-11378 | aniline-2-sulphonic acid | C06333 | A0266 | NCGC00258509-

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications

Synonyms

1-aminobenzene-2-sulphonic acid | Anilino-o-sulphonic acid | 2-aminobenzene-1-sulfonic acid | Benzenesulfonic acid, 2-amino- | 1-Aminobenzene-2-sulfonic acid | CAS-88-21-1 | HY-W015302 | AC-11378 | aniline-2-sulphonic acid | C06333 | A0266 | NCGC00258509-

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged, Cool

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504751202
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751202
• Canonical Smiles: C1=CC=C(C(=C1)N)S(=O)(=O)O
• IUPAC Name: 2-aminobenzenesulfonic acid
• InChIKey: ZMCHBSMFKQYNKA-UHFFFAOYSA-N
• INCHI: 1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
• Isomeric SMILES: C1=CC=C(C(=C1)N)S(=O)(=O)O
• WGK Germany: 3
• RTECS: DB4727700
• UN Number: 2585
• Packing Group: III
• Molecular Weight: 173.19
• Beilstein: 1309204
• Reaxy-Rn: 1309204
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1309204&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Sulfonyls Organosulfonic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
• External Descriptors: aminobenzenesulfonic acid

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)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Melt Point(°C): >300°C
• Molecular Weight: 173.190 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 173.015 Da
• Monoisotopic Mass: 173.015 Da
• Topological Polar Surface Area: 88.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 218.000
• 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. Luo Xiaoqing, Weng Qianfeng, Li Jinxiang.  (2022)  A New Composite of O-aminobenzene Sulfonic Acid Self-Doped Polyaniline and Multi-Walled Carbon Nanotubes as a Fiber Coating for Solid-Phase Microextraction Gas Chromatography.  CHROMATOGRAPHIA,  85  (8): (689-697).  [PMID:] [10.1007/s10337-022-04177-5]

2. Yue Su, Shihui Qiu, Jiayu Wei, Xiaobo Zhu, Haichao Zhao, Qunji Xue.  (2021)  Sulfonated polyaniline assisted hierarchical assembly of graphene-LDH nanohybrid for enhanced anticorrosion performance of waterborne epoxy coatings.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.131269]

3. Lingli Zhu, Dekui Shen, Qian Liu, Chunfei Wu, Sai Gu.  (2021)  Sustainable synthesis of bright green fluorescent carbon quantum dots from lignin for highly sensitive detection of Fe3+ ions.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2021.150526]

4. Feng Yang, Tong Liu, Jingyu Li, Shihui Qiu, Haichao Zhao.  (2018)  Anticorrosive behavior of a zinc-rich epoxy coating containing sulfonated polyaniline in 3.5% NaCl solution.  RSC Advances,  8  (24): (13237-13247).  [PMID:35542541] [10.1039/C8RA00845K]

5. Peng Du, Shihui Qiu, Chengbao Liu, Guangzhou Liu, Haichao Zhao, Liping Wang.  (2018)  In situ polymerization of sulfonated polyaniline in layered double hydroxide host matrix for corrosion protection.  NEW JOURNAL OF CHEMISTRY,  42  (6): (4201-4209).  [PMID:] [10.1039/C7NJ05127A]

6. Shihui Qiu, Cheng Chen, Wenru Zheng, Wei Li, Haichao Zhao, Liping Wang.  (2017)  Long-term corrosion protection of mild steel by epoxy coating containing self-doped polyaniline nanofiber.  SYNTHETIC METALS,      [PMID:] [10.1016/j.synthmet.2017.05.004]

7. Shihui Qiu, Cheng Chen, Mingjun Cui, Wei Li, Haichao Zhao, Liping Wang.  (2017)  Corrosion protection performance of waterborne epoxy coatings containing self-doped polyaniline nanofiber.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2017.02.142]

8. Xiao Gong, Mengyi Wu, Jiurong Li, Shiwei Zhang, Min Wu.  (2024)  A rational synthesis strategy of multicolor carbon nanodots for efficient visual detection of NaNO2.  Applied Materials Today,      [PMID:] [10.1016/j.apmt.2024.102330]

9. Guangpeng Ma, Wenyu Bai, Xinpu Zhou, Xianfeng Guan, Shuyu Zhang, Wanzhen Wu, Cuicui Li, Shuang Wang.  (2024)  Sulfonated polyaniline/MXene composite electrode with high cycling stability for anti-freezing flexible supercapacitor.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.153730]