1,5-Naphthalene Diisocyanate - ≥98%(GC) , CAS No.3173-72-6

CAS: 3173-72-6 Cat. No.: N133108 Peso molecular: 210.19 Beilstein Registry Number: 13(4)342 Número EC: 221-641-4

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0600668 | 4-13-00-00342 (Beilstein Handbook Reference) | CCRIS 8920 | 1,5-NDI | 1,5-naphthalenediisocyanate | UNII-0ORB22ST7M | Q2786152 | NSC 240728 | NAPHTHALENE DIISOCYANATE, 1,5- | 1,5-NAPHTHALENE DIISOCYANATE [IARC] | N0168 | 1,5-Naphthalene diiso

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

FT-0600668 | 4-13-00-00342 (Beilstein Handbook Reference) | CCRIS 8920 | 1, 5-NDI | 1, 5-naphthalenediisocyanate | UNII-0ORB22ST7M | Q2786152 | NSC 240728 | NAPHTHALENE DIISOCYANATE, 1, 5- | 1, 5-NAPHTHALENE DIISOCYANATE [IARC] | N0168 | 1, 5-Naphthalene diiso

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

• Sonrisas canónicas: C1=CC2=C(C=CC=C2N=C=O)C(=C1)N=C=O
• IUPAC Name: 1,5-diisocyanatonaphthalene
• InChIKey: SBJCUZQNHOLYMD-UHFFFAOYSA-N
• INCHI: 1S/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H
• Isómeros SMILES: C1=CC2=C(C=CC=C2N=C=O)C(=C1)N=C=O
• RTECS: NQ9600000
• Número ONU: 2206
• Grupo de embalaje: II
• Peso molecular: 210.19
• Beilstein: 13(4)342
• Reaxy-Rn: 2212353
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212353&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: naphthalenes

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: humidity and heat sensitive
• Punto de ebullición (°C): 183 °C/10 mmHg
• Punto de fusión (°C): 128.0-132.0 °C
• Peso molecular: 210.190 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 210.043 Da
• Monoisotopic Mass: 210.043 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 309.000
• 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

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2. Wu Bin Ying, Guyue Wang, Zhengyang Kong, Chen Kai Yao, Yubin Wang, Han Hu, Fenglong Li, Chao Chen, Ying Tian, Jiawei Zhang, Ruoyu Zhang, Jin Zhu.  (2021)  A Biologically Muscle-Inspired Polyurethane with Super-Tough, Thermal Reparable and Self-Healing Capabilities for Stretchable Electronics.  ADVANCED FUNCTIONAL MATERIALS,  31  (10): (2009869).  [PMID:] [10.1002/adfm.202009869]

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5. Bo Lin, Wangzhi Chen, Yujie Lei, Xingyu Ma, Jieyao Wang, Lei Li.  (2024)  Solvothermal Preparation of Microporous Polyureas for Au(III) Adsorption.  LANGMUIR,      [PMID:38627239] [10.1021/acs.langmuir.4c00305]

6. Chao Chen, Zhe Yu, Ying Tian, Fenglong Li, Zhengyang Kong, Xu Ran, Xing Wu, Kyung Jin Lee, Do Hwan Kim, Jung-Yong Lee, Jin Zhu, Wu Bin Ying.  (2024)  Transmembrane Inspired Mechano-Responsive Elastomers with Synergized Traction-Assisted Healing and Dual-Channel Sensing.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202402380]

7. Xiaoyi Zhang, Rongqing Chen, Xiaoying Gao, Jinlan Weng, Yunjia Liu, Tian Gui, Shenghong Yang, Dunqing Wang, Xiangshu Chen, Jian Liu.  (2022)  Mechanochemical synthesis of reticular β-cyclodextrin polyurethanes for the decontamination of phenolic micropollutants.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.139987]

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