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  • Adiponitrile

    • Adiponitrile

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    Catalog Number
    ACM111693
    CAS Number
    111-69-3
    Product Name
    Adiponitrile
    Structure
    Category
    Electrolytes; Lithium-Ion Batteries; Battery Materials
    Description
    Adiponitrile appears as a colorless to light yellow liquid which is fairly soluble and is less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.;Liquid;Liquid;ODOURLESS OILY COLOURLESS LIQUID.;Water-white, practically odorless, oily liquid.;Water-white, practically odorless, oily liquid. [Note: A solid below 34°F. Forms cyanide in the body.]
    IUPAC Name
    hexanedinitrile
    Molecular Weight
    108.14g/mol
    Molecular Formula
    C6H8N2;CN(CH2)4CN;C6H8N2
    Canonical SMILES
    C(CCC#N)CC#N
    InChI
    InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
    InChI Key
    BTGRAWJCKBQKAO-UHFFFAOYSA-N
    Boiling Point
    563 °F at 760 mm Hg (EPA, 1998);295.0 °C;295 °C @ 760 mm Hg;295 °C;563°F;563°F
    Melting Point
    36.1 °F (EPA, 1998);1.0 °C;1-3 °C;1 °C;34°F;34°F
    Flash Point
    199.4 °F (EPA, 1998);200 °F (93 °C) (OPEN CUP);159 °C c.c.;199°F (open cup);(oc) 199°F
    Density
    0.965 at 68 °F (EPA, 1998);0.9676 g/ml @ 20 °C;Relative density (water = 1): 0.97;0.97;0.97
    Solubility
    50 to 100 mg/mL at 73° F (NTP, 1992);0.74 M;Sol in alc, chloroform;Sol in methanol, ethanol, chloroalkanes, and aromatics but has low solubility in carbon disulfide, ethyl ether, and aliphatic hydrocarbons.;In water, 8.0X10+4 mg/l @ 20 °C.;Solubility in water, g/l at 20 °C: 50-100 (good);4.5%
    Color/Form
    NEEDLES FROM ETHER;Colorless liq;Water-white, oily liquid
    Complexity
    113
    Covalently-Bonded Unit Count
    1
    EC Number
    203-896-3;270-153-8
    Exact Mass
    108.068748g/mol
    Formal Charge
    0
    Heat of Vaporization
    70.4X10+4 J/kg
    Heavy Atom Count
    8
    ICSC Number
    0211
    Log P
    -0.32 (LogP);log Kow= -0.32;-0.32
    MeSH Entry Terms
    adiponitrile;hexanedinitrile
    Monoisotopic Mass
    108.068748g/mol
    NSC Number
    7617
    Odor
    Practically odorless.
    Other Experimental
    Vap: 2 mm Hg @ 119 °C
    Refractive Index
    Index of refraction: 1.4380 @ 20 °C/D
    Rotatable Bond Count
    3
    RTECS Number
    AV2625000
    UNII
    SYT33B891I
    UN Number
    2205;2205;2205;2205;2205
    Vapor Density
    3.73 (EPA, 1998) (Relative to Air);3.73 (air= 1);Relative vapor density (air = 1): 3.7;3.73
    Vapor Pressure
    2 mm Hg at 246 °F (NTP, 1992);6.79e-04 mmHg;6.8X10-4 mm Hg at 25 °C;Vapor pressure, Pa at 20 °C: 0.3;0.002 mmHg;0.002 mmHg
    Viscosity
    9.1 cP @ 20 °C; 2.6 cP @ 70 °C;58 mPa*s at 30 °C
    XLogP3
    -0.3
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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