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Baclofen Structure

Baclofen

Chemical Properties

Melting point 208-210°C
Boiling point 364.3±32.0 °C(Predicted)
Density  1.2069 (rough estimate)
refractive index  1.5500 (estimate)
storage temp.  2-8°C
solubility  1 M HCl: 50 mg/mL
form  solid
pka pKa 3.87±0.1(H2O) (Uncertain)
color  white to very faintly yellow
Water Solubility  Soluble in dilute NaOH or dilute HCl. Soluble in water at approximately 4mg/ml at pH 7.6
Merck  14,937
Stability Hygroscopic
InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
InChIKey KPYSYYIEGFHWSV-UHFFFAOYSA-N
SMILES C1(C=CC(Cl)=CC=1)C(CN)CC(=O)O
CAS DataBase Reference 1134-47-0(CAS DataBase Reference)
FDA UNII H789N3FKE8
NCI Dictionary of Cancer Terms baclofen; Lioresal
NCI Drug Dictionary baclofen
ATC code M03BX01
NIST Chemistry Reference Baclofen(1134-47-0)
EPA Substance Registry System .beta.-(Aminomethyl)-4-chlorobenzenepropanoic acid (1134-47-0)

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H301
Precautionary statements P301+P330+P331+P310
Hazard Codes  T,Xn
Risk Statements  61-25-36/37/38-42/43-20/21/22
Safety Statements  53-22-36/37/39-45-52-36-26
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  MW5084200
HazardClass  6.1(b)
PackingGroup  III
HS Code  2922492050
Toxicity LD50 in male mice, rats (mg/kg): 45, 78 i.v.; 103, 115 s.c.; 200, 145 orally (Tadokoro)
NFPA 704:
0
2 0

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