1939-36-2

Name 1,3-Propylenediaminetertaacetic acid
CAS 1939-36-2
EINECS(EC#) 400-400-9
Molecular Formula C11H18N2O8
MDL Number MFCD00210039
Molecular Weight 306.27
MOL File 1939-36-2.mol
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Chemical Properties

Melting point  ~250 °C (dec.)
Boiling point  620.5±55.0 °C(Predicted)
density  1.507±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
Water Solubility  Soluble in water
form  powder to crystal
pka 1.45±0.10(Predicted)
color  White to Almost white
BRN  1716449
InChI InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKey DMQQXDPCRUGSQB-UHFFFAOYSA-N
SMILES C(N(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O
CAS DataBase Reference 1939-36-2(CAS DataBase Reference)
EPA Substance Registry System 1939-36-2(EPA Substance)

Safety Data

Hazard Codes  Xn,N
Risk Statements 
R22:Harmful if swallowed.
R41:Risk of serious damage to eyes.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN3077 9/PG 3
WGK Germany  2
RTECS  MC1082500
TSCA  TSCA listed
HS Code  2922.49.8000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
Repr. 2

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