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  • Tris(1,3-dichloro-2-propyl) Phosphate

  • Tris(1,3-dichloro-2-propyl) Phosphate

    Catalog Number
    ACM13674878-1
    CAS Number
    13674-87-8
    Product Name
    Tris(1,3-dichloro-2-propyl) Phosphate
    Structure
    Category
    Battery Materials; Electronic Materials; Plastic Additives; Plasticizers
    Synonyms
    Phosphoric Acid Tris(1,3-dichloro-2-propyl) Ester
    Description
    Tris(1,3-dichloro-2-propyl)phosphate is a clear colorless viscous liquid. Generally a super-cooled liquid at room temperature but may occasionally solidify when held at low temperatures for prolonged periods. (NTP, 1992);Liquid
    IUPAC Name
    tris(1,3-dichloropropan-2-yl) phosphate
    Molecular Weight
    430.89
    Molecular Formula
    C9H15Cl6O4P
    Canonical SMILES
    C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl
    InChI
    InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2
    InChI Key
    ASLWPAWFJZFCKF-UHFFFAOYSA-N
    Boiling Point
    252 °C/15 mmHg
    Melting Point
    27.0 °C
    Flash Point
    249 °C
    Purity
    >93.0%(GC)
    Density
    1.52
    Solubility
    less than 1 mg/mL at 75° F (NTP, 1992);1.62e-05 M;In water, 7 mg/L at 24 °C;Soluble in most organic solvents
    Appearance
    Colorless to Almost colorless clear liquid
    Color/Form
    Viscous liquid;Clear liquid
    Complexity
    243
    Covalently-Bonded Unit Count
    1
    EC Number
    237-159-2
    Exact Mass
    429.880962g/mol
    Formal Charge
    0
    Hazard Statements
    H302 : Harmful if swallowed.H372 : Causes damage to organs through prolonged or repeated exposure.H351 : Suspected of causing cancer.H401 : Toxic to aquatic life.H410 : Very toxic to aquatic life with long lasting effects.
    Heavy Atom Count
    20
    Log P
    3.65 (LogP);log Kow = 3.65
    MDL Number
    MFCD00083121
    MeSH Entry Terms
    Fyrol FR 2;TDCPP compound;tris(1,3-dichloro-2-propyl)phosphate
    Monoisotopic Mass
    427.883912g/mol
    Odor
    Mild odor
    Other Experimental
    BP: 236-237 °C at 5 mm Hg;Decomposes gradually when heated above 200 °C;Henry's Law constant = 2.61X10-9 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.81X10-11 cu cm/molec-sec at 25 °C (est)
    Precautionary Statements
    P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P202 : Do not handle until all safety precautions have been read and understood.P201 : Obtain special instructions before use.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P391 : Collect spillage.P308 + P313 : IF exposed or concerned: Get medical advice/ attention.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P405 : Store locked up.
    Refractive Index
    1.5
    Rotatable Bond Count
    12
    Signal Word
    Danger
    Specific Gravity
    1.52
    Stability
    Resistant to chlorination in aqueous soln; it has an extremely low rate of hydrolysis & resists attack by bases.
    UNII
    B1PRV4G0T0
    Vapor Pressure
    10.3 mm Hg at 77 °F (NTP, 1992);2.86X10-7 mm Hg at 25 °C (est)
    XLogP3
    3.3
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