2767-70-6

Name (4-NITROBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE
CAS 2767-70-6
EINECS(EC#) 220-444-0
Molecular Formula C25H21BrNO2P
MDL Number MFCD00032108
Molecular Weight 478.32
MOL File 2767-70-6.mol
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Chemical Properties

Appearance white to light yellow powder
Melting point  275 °C (dec.)(lit.)
storage temp.  Inert atmosphere,Room Temperature
solubility  soluble in Methanol
form  solid
pka 20.1(Solvent: 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide)
color  White to Almost white
InChI 1S/C25H21NO2P.BrH/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
InChIKey IPJPTPFIJLFWLP-UHFFFAOYSA-M
SMILES [Br-].[O-][N+](=O)c1ccc(C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)cc1
CAS DataBase Reference 2767-70-6(CAS DataBase Reference)

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
RTECS  TA2390000
HS Code  29319000
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Toxicity
mouse,LD50,intravenous,18mg/kg (18mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00884,

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