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Structure

1,3-Bis-(4-chlorophenyl)urea

CAS
1219-99-4
Catalog Number
ACM1219994
Category
Other Products
Molecular Weight
281.1373
Molecular Formula
C13H10Cl2N2O

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Specification

Synonyms
n,n-di(4-chlorophenyl)urea; Urea,N,N-bis(4-chlorophenyl); Urea-based compound,9; 4,4-Dichlorocarbanilide; N,N-di(p-chlorophenyl)urea; N,N-bis-(4-chlorophenyl)urea; N-(4-chlorophenyl)[(4-chlorophenyl)amino]carboxamide; 1,3-di-p-chlorophenylcarbamide;
IUPAC Name
1,3-bis(4-chlorophenyl)urea
Canonical SMILES
C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)Cl)Cl
InChI Key
ZNQCSLYENQIUMJ-UHFFFAOYSA-N
Boiling Point
318.3ºC at 760mmHg
Flash Point
146.3ºC
Density
1.45 g/cm³
Appearance
liquid
Exact Mass
280.01700
H-Bond Acceptor
1
H-Bond Donor
2

Upstream Synthesis Route 1

  • 104-12-1
  • 106-47-8
  • 1219-99-4

Reference: [1]Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique
[Journal of the American Chemical Society, 2016, vol. 138, # 40, p. 13314 - 13325]

Upstream Synthesis Route 2

  • 106-47-8
  • 57-13-6
  • 1219-99-4

Reference: [1]Pasha; Jayashankara
[Synthetic Communications, 2006, vol. 36, # 12, p. 1787 - 1793]

Upstream Synthesis Route 3

  • 106-47-8
  • 140-38-5
  • 1219-99-4

Reference: [1]Journal of the Chemical Society,1908,vol. 93,p. 1055,1057

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