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  • 1,5-Diisocyanatonaphthalene

  • 1,5-Diisocyanatonaphthalene

    Catalog Number
    ACM3173726-1
    CAS Number
    3173-72-6
    Product Name
    1,5-Diisocyanatonaphthalene
    Structure
    Category
    Monomers; Polymers
    Description
    1,5-naphthalene diisocyanate is a white to light-yellow crystalline flakes. (NIOSH, 2016);OtherSolid;WHITE-TO-LIGHT-YELLOW CRYSTALS.;White to light-yellow, crystalline flakes.
    IUPAC Name
    1,5-diisocyanatonaphthalene
    Molecular Weight
    210.19g/mol
    Molecular Formula
    C12H6O2N2;C10H6(NCO)2;C12H6N2O2
    Canonical SMILES
    C1=CC2=C(C=CC=C2N=C=O)C(=C1)N=C=O
    InChI
    InChI=1S/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H
    InChI Key
    SBJCUZQNHOLYMD-UHFFFAOYSA-N
    Boiling Point
    505 °F at 760 mm Hg (NIOSH, 2016);329.85 °C;at 0.7kPa: 167 °C;505°F
    Melting Point
    261 °F (NIOSH, 2016);130.5 °C;130 °C;261°F
    Flash Point
    311 °F (NIOSH, 2016);192 °C c.c.;311°F
    Density
    Relative density (water = 1): 1.42
    Application
    1,5-Diisocyanatonaphthalene serves as a vital component in the production of elastomers, functioning as a curing agent. Known for its lower vapor pressure relative to tolylene diisocyanate, it poses less toxicity but still possesses sensitizing properties. Occurring as white to light yellow crystalline flakes, 1,5-Diisocyanatonaphthalene features a distinct odor and is a member of the naphthalene family. While it offers benefits in manufacturing, it must be handled with care due to its capacity for exothermic reactions with various compounds, including amines, aldehydes, and alcohols, potentially releasing heat or toxic gases. It is also reactive with water, forming amines and releasing carbon dioxide.
    Complexity
    309
    Covalently-Bonded Unit Count
    1
    EC Number
    221-641-4;928-025-0
    Exact Mass
    210.042927g/mol
    Formal Charge
    0
    Heavy Atom Count
    16
    ICSC Number
    0653
    MeSH Entry Terms
    1,5-naphthylene di-isocyanate
    Monoisotopic Mass
    210.042927g/mol
    NSC Number
    240728
    Rotatable Bond Count
    2
    RTECS Number
    NQ9600000
    UNII
    0ORB22ST7M
    UN Number
    2206
    Vapor Pressure
    0.003 mm Hg at 75 °F (NIOSH, 2016);3.38e-05 mmHg;Vapor pressure, Pa at 20 °C:;0.003 mmHg
    XLogP3
    4.8
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