Hexyl Isocyanate - ≥98%(GC) , CAS No.2525-62-4

CAS: 2525-62-4 Cat. No.: H157416 Peso molecular: 127.19 Número EC: 219-763-8

GRADE & PURITY ≥98%(GC)

Synonyms

EINECS 219-763-8 | Isocyanic Acid Hexyl Ester | AKOS009158659 | J-800358 | Hexyl isocyanate, 97% | 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-3-(1-naphthalenyloxy)- | Hexylisocyanate | Hexane, 1-isocyanato- | I0492 | 1-Isocyanatohexane # |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

EINECS 219-763-8 | Isocyanic Acid Hexyl Ester | AKOS009158659 | J-800358 | Hexyl isocyanate, 97% | 1-Propanaminium, 2-hydroxy-N, N-dimethyl-N-(1-methylethyl)-3-(1-naphthalenyloxy)- | Hexylisocyanate | Hexane, 1-isocyanato- | I0492 | 1-Isocyanatohexane # |

Especificaciones y pureza

≥98%(GC)

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: 504754976
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754976
• Sonrisas canónicas: CCCCCCN=C=O
• IUPAC Name: 1-isocyanatohexane
• InChIKey: ANJPRQPHZGHVQB-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
• Isómeros SMILES: CCCCCCN=C=O
• WGK Alemania: 3
• Peso molecular: 127.19
• Reaxy-Rn: 1751836
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751836&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Isocyanates

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Isocyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Isocyanates
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O.
• External Descriptors: isocyanates

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: Air and moisture sensitive,heat sensitive
• Índice de refracción: 1.4190 to 1.4210
• Punto de inflamación (°F): 138.2 °F
• Punto de inflamación (°C): 60°C
• Punto de ebullición (°C): 164°C
• Peso molecular: 127.180 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 127.1 Da
• Monoisotopic Mass: 127.1 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 95.100
• 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. Yan Zhuang, Zhihao Si, Siyu Pang, Hanzhu Wu, Jan Baeyens, Xinmiao Zhang, Peiyong Qin.  (2023)  Alkyl chain engineered photo-initiators for the fabrication of biobutanol permselective pervaporation membranes.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2023.121965]

2. Xianghao Meng, Fan Yi, Yue Qi, Jie Gao, Zexuan He, Zeyu Pei, Li-Bo Huang, Zhongyi Jiang.  (2025)  Bioinspired artificial water channels-COF membranes for enhanced desalination of brackish water.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.123942]

3. Jingjing Qin, Jiaming Liu, Dingsong Wang, Liyan Liang, Chaolong Yang, Maoping Lyu.  (2024)  High performance, self-healable and recyclable epoxy thermosets by integrating dynamic hindered urea bonds.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.126994]

4. Houkang Pu, Hanjing Xue, Xiaojuan Wang, Weizheng Zhang, Xinyan Wang, Huacheng Xu, Yijun Huang, Congjie Gao, Xueli Gao.  (2025)  Nanobubbles-induced self-assembly of amphiphilic molecules for structural design and application to polyamide reverse osmosis membranes.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.124754]

5. Yi Sheng, Xiaorui Zhou, Hanyuan Bao, Jiacheng Huang, Zhan Zhu, Yufei Wang, Zizheng Fang, Jingjun Wu, Tao Xie, Ning Zheng.  (2025)  Accessing Multi-Material Liquid Crystal Elastomers Via Digitally Programmable Network Topologies.  ADVANCED MATERIALS,      [PMID:41122826] [10.1002/adma.202507324]

6. Xianghao Meng, Fan Yi, Yue Qi, Jie Gao, Zeyu Pei, Zexuan He, Guo Wang, Changting Hong, Li-Bo Huang, Zhongyi Jiang.  (2025)  Engineering artificial water channels into ionic covalent organic framework membranes towards efficient desalination.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.133297]

7. Zhu Mengxuan, Liu Yifan, Ma Jiaxin, Wang Longyang, Wang Rui, Jiang Heng, Jin Changzi.  (2025)  Synthesis of MWW-type zeolite through seed-assisted interzeolite transformation from FAU zeolite.  JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY,      [PMID:] [10.1007/s10971-025-06769-7]

8. Hanjing Xue, Houkang Pu, Xiaojuan Wang, Xiaolai Zhang, Xinyan Wang, Weizheng Zhang, Congjie Gao, Xueli Gao.  (2026)  Construction of high-performance thin film nanocomposite membranes with organic-inorganic hybrid interlayers based on imidazole-ureido organics intercalated PrGO nanosheets.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2026.125389]