13080-86-9

Name 4,4'-(4,4'-Isopropylidenediphenyl-1,1'-diyldioxy)dianiline
CAS 13080-86-9
EINECS(EC#) 235-985-8
Molecular Formula C27H26N2O2
MDL Number MFCD00039152
Molecular Weight 410.51
MOL File 13080-86-9.mol

Chemical Properties

Melting point  127-130 °C(lit.)
Boiling point  587.1±50.0 °C(Predicted)
density  1.178±0.06 g/cm3(Predicted)
vapor pressure  0-0Pa at 20-25℃
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
form  Solid:particulate/powder
pka 5.16±0.10(Predicted)
Appearance White to off-white Solid
Water Solubility  Very slightly soluble in water. Soluble in acetone, Dimethyl sulfoxide(DMSO).
Henry's Law Constant 2.0×108 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI InChI=1S/C27H26N2O2/c1-27(2,19-3-11-23(12-4-19)30-25-15-7-21(28)8-16-25)20-5-13-24(14-6-20)31-26-17-9-22(29)10-18-26/h3-18H,28-29H2,1-2H3
InChIKey KMKWGXGSGPYISJ-UHFFFAOYSA-N
SMILES C(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)(C)C
LogP 4.3-4.9 at 35℃ and pH7
CAS DataBase Reference 13080-86-9(CAS DataBase Reference)
EPA Substance Registry System 13080-86-9(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xn,Xi
Risk Statements 
R22:Harmful if swallowed.
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
RTECS  CY1062500
TSCA  Yes
REACH Registrations Active
HS Code  29222990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

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