2-Isocyanatoethyl acrylate(AOI) - ≥98%(GC),stabilized with BHT , CAS No.13641-96-8

CAS: 13641-96-8 Cat. No.: I157700 Peso molecular: 141.13 Número EC: 482-140-6

GRADE & PURITY ≥98%(GC), stabilized with BHT

Synonyms

2-(Acryloyloxy)ethyl Isocyanate (stabilized with BHT) | Acrylic Acid 2-Isocyanatoethyl Ester (stabilized with BHT)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-(Acryloyloxy)ethyl Isocyanate (stabilized with BHT) | Acrylic Acid 2-Isocyanatoethyl Ester (stabilized with BHT)

Especificaciones y pureza

≥98%(GC), stabilized with BHT

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488194149
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194149
• Sonrisas canónicas: C=CC(=O)OCCN=C=O
• IUPAC Name: 2-isocyanatoethyl prop-2-enoate
• InChIKey: DPNXHTDWGGVXID-UHFFFAOYSA-N
• INCHI: 1S/C6H7NO3/c1-2-6(9)10-4-3-7-5-8/h2H,1,3-4H2
• Isómeros SMILES: C=CC(=O)OCCN=C=O
• Peso molecular: 141.13
• Reaxy-Rn: 1769336
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1769336&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Acrylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Acrylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acrylic acid esters
• Alternative Parents: Enoate esters Isocyanates Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acrylic acid ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Isocyanate - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acrylic acid esters. These are organic compounds containing and ester acrylic acid (CH2=CHC(=O)OH).
• 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

• Sensibilidad: Moisture sensitive；air sensitive
• Índice de refracción: 1.45
• Punto de inflamación (°F): 206.6 ℉
• Punto de inflamación (°C): 97°C(lit.)
• Punto de ebullición (°C): 82 °C/9.8 mmHg
• Punto de fusión (°C): -25 °C
• Peso molecular: 141.120 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 141.043 Da
• Monoisotopic Mass: 141.043 Da
• Topological Polar Surface Area: 55.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 170.000
• 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

Referencias

1. Jie Xiong, Yunfang Xiao, Jiaman Liang, Jian Sun, Lixia Gao, Qiuju Zhou, Dan Hong, Kejun Tan.  (2022)  Dye-based dual-emission Eu-MOF synthesized by Post-modification for the sensitive ratio fluorescence visualization sensing of ClO-.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:36126623] [10.1016/j.saa.2022.121863]

2. Jingran Zhang, Baozhu Li, Heran Song, Chen Zhao, Songfeng Liang, Zhurong Dong, Jie Yu.  (2022)  High Refractive Index Diphenyl Sulfide Photopolymers for Solar Cell Antireflection Coatings.  Energies,  15  (11): (3972).  [PMID:] [10.3390/en15113972]

3. Wei Zhao, Bing Li, Sheng Xu, Xuewen Huang, Jing Luo, Ye Zhu, Xiaoya Liu.  (2019)  Electrochemical protein recognition based on macromolecular self-assembly of molecularly imprinted polymer: a new strategy to mimic antibody for label-free biosensing.  Journal of Materials Chemistry B,  7  (14): (2311-2319).  [PMID:32254679] [10.1039/C9TB00220K]

4. Zhirong Zhang, Linghui Sun, Feiyu Chen, Lixin Huang, Xiangui Liu, Xu Huo, Xiuxiu Pan, Cancan Chen, Chun Feng.  (2025)  Enhanced oil recovery via dual cross-linked polysaccharide network for superior rheology and flow efficiency.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40010452] [10.1016/j.ijbiomac.2025.141266]

5. Wenwei Yang, Yubing Fu, Siyu Gan, Xueling Yan, Liwei Lu, Xinyu Chen, Lan Liu.  (2026)  Thermoreversible adhesives with precisely temperature-controlled detachment enabled by temperature-responsive crystalline domains.  Materials Horizons,      [PMID:41668611] [10.1039/D6MH00017G]

6. Hou Ke-Xin, Yu Buyun, Qian Zhengyang, Chen Zong-Ju, Qiu Peng-Fei, Sasaki Kosei, Ju Lu, Zhang Chao, Lu Wei-Bing, Someya Takao, Yokota Tomoyuki, Li Cheng-Hui.  (2026)  Strain resilient and self-healing nanocomposite conductors with ultralow sheet resistance.  Nature Communications,      [PMID:] [10.1038/s41467-026-71851-9]