Hexadecyl isocyanate - ≥97% , CAS No.1943-84-6

CAS: 1943-84-6 Cat. No.: H338591 Summenformel: CH₃(CH₂)15NCO Molekulargewicht: 267.45 EG-Nummer: 217-736-5

GRADE & PURITY ≥97%

Synonyms

AKOS005258314 | GFLXBRUGMACJLQ-UHFFFAOYSA-N | SCHEMBL527174 | EINECS 217-736-5 | HEXADECylisoCYANATE | hexadecyl-isocyanate | 1-isocyanato-Hexadecane;Isocyanatohexadecane;1-Isocyanatohexadecane | J-012590 | 1-Isocyanatohexadecane | E79381 | HEXADECANE, 1-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Hexadecyl isocyanate is a useful chemical for production of polyurethanes or pesticides.

Specifications

Synonyme

AKOS005258314 | GFLXBRUGMACJLQ-UHFFFAOYSA-N | SCHEMBL527174 | EINECS 217-736-5 | HEXADECylisoCYANATE | hexadecyl-isocyanate | 1-isocyanato-Hexadecane;Isocyanatohexadecane;1-Isocyanatohexadecane | J-012590 | 1-Isocyanatohexadecane | E79381 | HEXADECANE, 1-

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488184973
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184973
• Kanonisches Lächeln: CCCCCCCCCCCCCCCCN=C=O
• IUPAC Name: 1-isocyanatohexadecane
• InChIKey: GFLXBRUGMACJLQ-UHFFFAOYSA-N
• INCHI: 1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3
• Isomere SMILES: CCCCCCCCCCCCCCCCN=C=O
• WGK Deutschland: 3
• UN-Nummer: 2206
• Verpackungsgruppe: III
• Molekulargewicht: 267.45
• Reaxy-Rn: 1785098
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1785098&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.448
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 186-188° C (lit.) at 14 mmHg
• Molekulargewicht: 267.400 g/mol
• XLogP3: 8.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 267.256 Da
• Monoisotopic Mass: 267.256 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 209.000
• 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

Referenzen

1. Dengshuai Wei, Yingjie Yu, Xingcai Zhang, Yongheng Wang, Hao Chen, Yao Zhao, Fuyi Wang, Guanghua Rong, Wenwen Wang, Xiang Kang, Jing Cai, Zehua Wang, Ji-Ye Yin, Muhammad Hanif, Yongbing Sun, Gaofeng Zha, Linxian Li, Guohui Nie, Haihua Xiao.  (2020)  Breaking the Intracellular Redox Balance with Diselenium Nanoparticles for Maximizing Chemotherapy Efficacy on Patient-Derived Xenograft Models.  ACS Nano,      [PMID:33283501] [10.1021/acsnano.0c06190]

2. Xiaoyan Han, Pengyuan Gao, Shuyi Deng, Peng Mei, Qing Zhang, Yingkui Yang.  (2020)  Facile simultaneous polymerization enabled in-situ confinement of size-tailored GeO2 nanocrystals in continuous S-Doped carbons for lithium storage.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2020.100293]