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  • 2-Chloro-4-nitroaniline

    • 2-Chloro-4-nitroaniline

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    Catalog Number
    ACM121879
    Product Name
    2-Chloro-4-nitroaniline
    Structure
    CAS
    121-87-9
    Category
    Organic Non-Linear Optical (NLO) Materials
    Synonyms
    2-Chloro-4-nitrobenzenamine
    Description
    Alfa Chemistry offers high-purity 2-Chloro-4-nitroaniline products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.
    IUPAC Name
    2-chloro-4-nitroaniline
    Molecular Weight
    172.57
    Molecular Formula
    C6H5ClN2O2
    Canonical SMILES
    C1=CC(=C(C=C1[N+](=O)[O-])Cl)N
    InChI
    InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
    InChI Key
    LOCWBQIWHWIRGN-UHFFFAOYSA-N
    Boiling Point
    200 °C
    Melting Point
    107.0 to 110.0 °C
    Flash Point
    Flash point = 205 °C;205 °C
    Purity
    >98.0%(GC)
    Solubility
    Insoluble in water Very soluble in Ether,Alcohol Soluble in Benzene
    Appearance
    Light yellow to Yellow to Orange powder to crystal
    Application
    Nonlinear optical materials may be important for large-capacity communications, because further application of this material may provide a device in an all optical system.
    Color/Form
    Yellow needles from water
    Complexity
    159
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    EC Number
    204-502-2
    Exact Mass
    172.0039
    Features And Benefits
    Nonlinear optical materials efficiently exhibit nonlinear optical phenomena, which are conversion of light wavelength, amplification of light, and conversion of the refractive index depending on optical intensity.
    Formal Charge
    0
    Heavy Atom Count
    11
    Hydrogen Bond Acceptor Count
    3
    Hydrogen Bond Donor Count
    1
    ICSC Number
    1076
    Isotope Atom Count
    0
    Log P
    2.14 (LogP);log Kow = 2.14;2.3
    MDL Number
    MFCD00007665
    MeSH Entry Terms
    2-chloro-4-nitroaniline
    Monoisotopic Mass
    172.0039
    NSC Number
    3548
    Other Experimental
    Henry's Law constant = 0.54X10-9 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 3.93X10-12 cu cm/molec-sec at 25 °C (est)
    Rotatable Bond Count
    0
    RTECS Number
    BX1400000
    Storage Conditions
    Store at room temperature and dry
    Topological Polar Surface Area
    71.8 Ų
    UNII
    XSA3ZX337B
    UN Number
    2237;2237
    Vapor Pressure
    4.85X10-4 mm Hg at 25 °C (est);Vapor pressure, Pa at 25 °C: 0.00046
    XLogP3
    2.1
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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