1099-45-2

Name Ethyl (triphenylphosphoranylidene)acetate
CAS 1099-45-2
EINECS(EC#) 214-151-7
Molecular Formula C22H21O2P
MDL Number MFCD00009183
Molecular Weight 348.37
MOL File 1099-45-2.mol
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Chemical Properties

Appearance Off-White Solid
Melting point  128-130 °C (lit.)
Boiling point  490.4±28.0 °C(Predicted)
density  1.086 g/cm3
storage temp.  2-8°C
solubility  Chloroform, THF
form  Powder
color  White to light yellow
Water Solubility  Insoluble
Sensitive  Air Sensitive
Usage A common Wittig reagent. A cholinesterase inhibitor.
BRN  754639
InChI InChI=1S/C22H21O2P/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3
InChIKey IIHPVYJPDKJYOU-UHFFFAOYSA-N
SMILES C(OCC)(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CAS DataBase Reference 1099-45-2(CAS DataBase Reference)
EPA Substance Registry System 1099-45-2(EPA Substance)

Safety Data

Hazard Codes  T,Xi,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R25:Toxic if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR  UN2811
WGK Germany  3
Hazard Note  Irritant
TSCA  Yes
HS Code  29310095
Storage Class 11 - Combustible Solids

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