78266-06-5

Name (3-BROMO-2,4,6-TRIMETHYLPHENYLCARBAMOYL)METHYLIMINODIACETIC ACID
CAS 78266-06-5
EINECS(EC#) 278-877-6
Molecular Formula C15H19BrN2O5
MDL Number MFCD00216974
Molecular Weight 387.23
MOL File 78266-06-5.mol
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Chemical Properties

Appearance Colourless or brownish crystals
Melting point  193-198 °C
Boiling point  577.4±50.0 °C(Predicted)
density  1.5766 (rough estimate)
refractive index  1.6520 (estimate)
storage temp.  2-8°C
form  neat
pka 1.68±0.10(Predicted)
color  White to off-white
Water Solubility  Soluble in dimethylsulphoxide and ethanol. Insoluble in water.
BRN  10474727
Major Application pharmaceutical (small molecule)
InChI 1S/C15H19BrN2O5/c1-8-4-9(2)15(10(3)14(8)16)17-11(19)5-18(6-12(20)21)7-13(22)23/h4H,5-7H2,1-3H3,(H,17,19)(H,20,21)(H,22,23)
InChIKey MHPZZZZLAQGTHT-UHFFFAOYSA-N
SMILES Brc1c(c(c(cc1C)C)NC(=O)CN(CC(=O)O)CC(=O)O)C

Safety Data

Risk Statements 
Safety Statements 
WGK Germany  WGK 3
RTECS  MB9121850
HS Code  2924296000
Storage Class 11 - Combustible Solids
Toxicity
LD50 in mice, rats (mg/kg): 213.8, 226.4 i.v. (Jiang)

Hazard Information

Spectrum Detail

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