587-90-6

Name 1,3-BIS(4-NITROPHENYL)UREA
CAS 587-90-6
EINECS(EC#) 209-607-7
Molecular Formula C13H10N4O5
MDL Number MFCD00024602
Molecular Weight 302.24
MOL File 587-90-6.mol
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Chemical Properties

Melting point  >300 °C(lit.)
Boiling point  443.29°C (rough estimate)
density  1.3627 (rough estimate)
refractive index  1.6120 (estimate)
storage temp.  Sealed in dry,2-8°C
solubility  DMF (Slightly), DMSO (Slightly, Heated)
form  Solid
pka 12.44±0.70(Predicted)
color  Yellow
Merck  14,3278
BRN  2225762
InChI 1S/C13H10N4O5/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22/h1-8H,(H2,14,15,18)
InChIKey JEZZOKXIXNSKQD-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
CAS DataBase Reference 587-90-6(CAS DataBase Reference)
EPA Substance Registry System Urea, N,N'-bis(4-nitrophenyl)- (587-90-6)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
TSCA  TSCA listed
HS Code  2921490090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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