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  • 4,4'-Methylenebis(2-chloroaniline)

  • 4,4'-Methylenebis(2-chloroaniline)

    Catalog Number
    ACM101144
    CAS Number
    101-14-4
    Product Name
    4,4'-Methylenebis(2-chloroaniline)
    Structure
    Category
    Monomers; Polymers
    Description
    4,4'-methylenebis(2-chloroaniline) appears as tan-colored pellets or an off-white solid. Slight odor. (NTP, 1992);DryPowder; OtherSolid; PelletsLargeCrystals;COLOURLESS CRYSTALS OR LIGHT BROWN PELLETS.;Tan-colored pellets or flakes with a faint, amine-like odor.;Tan-colored pellets or flakes with a faint, amine-like odor.
    IUPAC Name
    4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline
    Molecular Weight
    267.15g/mol
    Molecular Formula
    C13H12Cl2N2;C13H12Cl2N2
    Canonical SMILES
    C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N
    InChI
    InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2
    InChI Key
    IBOFVQJTBBUKMU-UHFFFAOYSA-N
    Boiling Point
    378.9 °C
    Melting Point
    210 to 225 °F (NTP, 1992);110.0 °C;110 °C;110 °C;210-225°F;230°F
    Flash Point
    113 °C c.c.
    Density
    1.44 (NTP, 1992);1.44;1.44 g/cm³;1.44;1.44
    Solubility
    less than 1 mg/mL at 77° F (NTP, 1992);5.20e-05 M;Soluble in hot methyl ethyl ketone, acetone, esters, and aromatic hydrocarbons;Sol in dimethyl sulfoxide, dimethyl formamide;Solubl in dilulte acids, ether, alcohol;Soluble in carbon tetrachloride;Slightly soluble in water; sol in oxygenated solvents;Solubility in water: none;Slight
    Color/Form
    Tan colored pellets;Light-brown flakes;Flakes from alcohol;Tan solid
    Complexity
    226
    Covalently-Bonded Unit Count
    1
    EC Number
    202-918-9
    Exact Mass
    266.037754g/mol
    Formal Charge
    0
    Heavy Atom Count
    17
    ICSC Number
    0508
    Log P
    3.91 (LogP);log Kow = 3.91;3.94
    MeSH Entry Terms
    3,3'-Dichloro-4,4'-Diaminodiphenylmethane;4,4'-Methylenebis(2-chloroaniline);MBOCA;Methylene Bis(chloroaniline);Methylenebis(chloroaniline)
    Monoisotopic Mass
    266.037754g/mol
    NSC Number
    52954
    Odor
    Faint, amine-like odor
    Other Experimental
    VP: 1.3X10-3 torr at 60 °C;Has general characteristics of primary aromatic amines.;When heated to decomposition it emits very toxic fumes of /chlorine and oxides of nitrogen/.;Henry's Law constant = 1.1X10-11 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 7.75X10-11 cu cm/molec-sec at 25 °C (est)
    Rotatable Bond Count
    2
    RTECS Number
    CY1050000
    UNII
    3L2W5VTT2A
    UN Number
    3077;3077
    Vapor Density
    `
    Vapor Pressure
    5e-05 mm Hg at 248 °F ; 0.0013 mm Hg at 140° F (NTP, 1992);3.9X10-6 mm Hg at 25 °C (est);negligible;0.00001 mmHg at 77°F;(77°F): 0.00001 mmHg
    XLogP3
    3.8
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