402-40-4

Name 1,5-BIS(4-ALLYLDIMETHYL-AMMONIUMPHENYL)PENTAN-3-ONE DIBROMIDE
CAS 402-40-4
Molecular Formula C27H38Br2N2O
MDL Number MFCD00063485
Molecular Weight 566.41
MOL File 402-40-4.mol

Chemical Properties

Appearance Off-White Powder
Melting point  194-196°C
storage temp.  Refrigerator
solubility  DMSO (Slightly, Sonicated), Methanol (Slightly), Water
form  Solid
color  Off-White to Brown
Water Solubility  water: 19.60-20.40mg/mL, clear, colorless
Stability: Stable
InChI 1S/C27H38N2O.BrH/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2;/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3;1H
InChIKey XBXRQUYORADPMX-UHFFFAOYSA-N
SMILES Br.C[N](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N](C)(C)CC=C)cc1
EPA Substance Registry System 4,4'-(3-Oxo-1,5-pentanediyl)bis[N,N-dimethyl-N-2-propenylbenzenaminium] dibromide (402-40-4)

Safety Data

Hazard Codes  T+,Xi
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1/PG 1
WGK Germany  3
Hazard Note  Irritant
HazardClass  6.1(a)
PackingGroup  I
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Oral

Hazard Information

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