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2964-48-9

Name (1S,2S)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol
CAS 2964-48-9
EINECS(EC#) 221-001-4
Molecular Formula C9H12N2O4
MDL Number MFCD00803398
Molecular Weight 212.2
MOL File 2964-48-9.mol
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Chemical Properties

Appearance yellow to beige crystalline powder
Melting point  163-166 °C(lit.)
alpha  31 º (C=1 IN 6 M HCL)
Boiling point  352.03°C (rough estimate)
density  1.3136 (rough estimate)
refractive index  1.5373 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  soluble in DMSO, Methanol
form  Crystalline Powder
pka 10.98±0.45(Predicted)
color  Yellow to beige
Optical Rotation [α]23/D +31°, c = 1 in 6 M HCl
InChI InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m0/s1
InChIKey OCYJXSUPZMNXEN-IUCAKERBSA-N
SMILES [C@@H](C1=CC=C([N+]([O-])=O)C=C1)(O)[C@@H](N)CO

Safety Data

Safety Statements 
WGK Germany  3
HazardClass  IRRITANT
HS Code  29221990

Hazard Information

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