Product Name

  • Name

    Bis(4-chlorobenzyl) azodicarboxylate

  • EINECS
  • CAS No. 916320-82-6
  • Article Data2
  • CAS DataBase
  • Density 1.366 g/cm3
  • Solubility
  • Melting Point 108-112°C
  • Formula C16H12Cl2N2O4
  • Boiling Point 505.576 °C at 760 mmHg
  • Molecular Weight 367.188
  • Flash Point 259.563 °C
  • Transport Information
  • Appearance
  • Safety 36/37
  • Risk Codes 43
  • Molecular Structure Molecular Structure of 916320-82-6 (Bis(4-chlorobenzyl) azodicarboxylate)
  • Hazard Symbols Xi
  • Synonyms Bis(4-chlorobenzyl) azodicarboxylate;Di-p-chlorobenzyl azodicarboxylate(DCAD);
  • PSA 77.32000
  • LogP 5.41900

Bis(4-chlorobenzyl) azodicarboxylate Specification

The IUPAC name of Bis(4-chlorobenzyl) azodicarboxylate is (4-chlorophenyl)methyl (NZ)-N-[(4-chlorophenyl)methoxycarbonylimino]carbamate. With the CAS registry number 916320-82-6, it is also named as Di-p-chlorobenzyl azodicarboxylate. In addition, its molecular formula is C16H12Cl2N2O4 and its molecular weight is 367.18. 

The other characteristics of Bis(4-chlorobenzyl) azodicarboxylate can be summarized as: (1)XLogP3-AA: 5.2; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 6; (5)Exact Mass: 366.017412; (6)MonoIsotopic Mass: 366.017412; (7)Topological Polar Surface Area: 77.3; (8)Heavy Atom Count: 24; (9)Complexity: 405; (10)Index of Refraction: 1.592; (11)Molar Refractivity: 90.978 cm3; (12)Molar Volume: 268.732 cm3; (13)Polarizability: 36.067×10-24cm3; (14)Surface Tension: 48.562 dyne/cm; (15)Density: 1.366 g/cm3; (16)Flash Point: 259.563 °C; (17)Enthalpy of Vaporization: 77.528 kJ/mol; (18)Boiling Point: 505.576 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1ccc(cc1)COC(=O)/N=N/C(=O)OCc2ccc(Cl)cc2
(2)InChI:InChI=1/C16H12Cl2N2O4/c17-13-5-1-11(2-6-13)9-23-15(21)19-20-16(22)24-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2/b20-19+
(3)InChIKey:UIFGGABIJBWRMG-FMQUCBEEBB
(4)Std. InChI:InChI=1S/C16H12Cl2N2O4/c17-13-5-1-11(2-6-13)9-23-15(21)19-20-16(22)24-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2/b20-19+
(5)Std. InChIKey:UIFGGABIJBWRMG-FMQUCBEESA-N

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