1-Pyreneboronic Acid (contains varying amounts of Anhydride) - ≥98% , CAS No.164461-18-1

CAS: 164461-18-1 Cat. No.: P396145 Peso molecular: 246.07 Número EC: 813-398-3

GRADE & PURITY ≥98%

Synonyms

OL10090 | Boronic acid, B-1-pyrenyl- | Pyrene-1-boronic acid | J-524083 | YSSJ01086 | (pyren-1-yl)boronic acid | C16H11BO2 | DTXSID60408164 | AB21450 | 1-pyrenyl boronic acid | 1-Pyreneboronic acid (contains varying amounts of Anhydride) | pyren-1-boronic

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Application:

It is an important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field. Also used as a intermediate for organic light-emitting diode(OLED).

Specifications

Sinónimos

OL10090 | Boronic acid, B-1-pyrenyl- | Pyrene-1-boronic acid | J-524083 | YSSJ01086 | (pyren-1-yl)boronic acid | C16H11BO2 | DTXSID60408164 | AB21450 | 1-pyrenyl boronic acid | 1-Pyreneboronic acid (contains varying amounts of Anhydride) | pyren-1-boronic

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195086
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195086
• Sonrisas canónicas: B(C1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4)(O)O
• IUPAC Name: pyren-1-ylboronic acid
• InChIKey: MWEKPLLMFXIZOC-UHFFFAOYSA-N
• INCHI: 1S/C16H11BO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,18-19H
• Isómeros SMILES: B(C1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4)(O)O
• WGK Alemania: 3
• Peso molecular: 246.07
• Reaxy-Rn: 7134073
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7134073&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives Naphthalenes Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Punto de fusión (°C): 247-251°C
• Peso molecular: 246.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 246.085 Da
• Monoisotopic Mass: 246.085 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 346.000
• 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

XLogP3

Referencias

1. Jianlin Zhou, Zhonghua Yuan, Han Liu, Weixing He, Kejing Yu, Kunlin Chen.  (2022)  Bio-inspired self-healing flexible films with pomegranate-shaped nanosphere loaded graphene for electromagnetic interference shielding and superhydrophobicity performances.  Journal of Materials Chemistry A,  10  (45): (24331-24344).  [PMID:] [10.1039/D2TA05088A]

2. Hang Xiao, Tao Li, Xiao-Li Sun, Wen-Ming Wan, Hongli Bao, Qingrong Qian, Qinghua Chen.  (2022)  Unpredicted Concentration-Dependent Sensory Properties of Pyrene-Containing NBN-Doped Polycyclic Aromatic Hydrocarbons.  MOLECULES,  27  (1): (327).  [PMID:35011557] [10.3390/molecules27010327]

3. Chen Ya-Shun, Feng Yu-Qi.  (2021)  Rapid Determination of Endogenous 20-Hydroxyecdysone in Plants on MALDI-TOF/TOF Mass Spectrometry via Chemical Labeling Based on Boronate Affinity.  Journal of Analysis and Testing,  6  (3): (318-326).  [PMID:] [10.1007/s41664-021-00179-8]

4. Fang Zhu, Lanfang Ren, Wenhua Cheng, Haohan Zhou, Yuhan Li, Nan Liu, Guangyu Rong, Yunfeng Liu, Panting Yu, Jia Lv, Yiyun Cheng, Chao Chen.  (2025)  A Dynamic Deferoxamine Polymer with Exceptional Performance in Mitochondrial Iron Depletion and Cytosolic Protein Delivery.  Small,      [PMID:39945100] [10.1002/smll.202412093]

5. Dongbo Chen, Minhui Niu, Xintong Li, Shaohan Sun, Yunkai Lv, Henggang Wang, Zhenguang Wang.  (2025)  Automatic Image Processing-Assisted Ratiometric Afterglow Sensor Array for the Discrimination and Detection of Fluoroquinolones Enabled by a Universal Host–Guest Strategy.  ANALYTICAL CHEMISTRY,      [PMID:40689438] [10.1021/acs.analchem.5c02680]

6. Xingguo Zhang, Zhihua Pu, Wangwang Zhu, Wenjun Li, Hao Zheng, Chengcheng Li, Dachao Li.  (2025)  Wide-linearity flexible OFET biosensors for wearable biomarkers detection.  TALANTA,      [PMID:40378762] [10.1016/j.talanta.2025.128294]