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159453-24-4

Name CBZ-S-Phenyl-L-cysteine
CAS 159453-24-4
EINECS(EC#) 441-530-6
Molecular Formula C17H17NO4S
MDL Number MFCD00671699
Molecular Weight 331.39
MOL File 159453-24-4.mol

Chemical Properties

Appearance white to light yellow crystal powde
Melting point  94-97 °C(lit.)
alpha  -55 º (c=2, EtOH)
Boiling point  547.5±50.0 °C(Predicted)
density  1.2606 (rough estimate)
refractive index  -55 ° (C=2, EtOH)
solubility  soluble in Methanol
form  powder to crystal
pka 3.48±0.10(Predicted)
color  White to Almost white
Optical Rotation [α]20/D 55°, c = 2 in ethanol
InChI InChI=1S/C17H17NO4S/c19-16(20)15(12-23-14-9-5-2-6-10-14)18-17(21)22-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKey ISBOGFMUFMJWEP-HNNXBMFYSA-N
SMILES C(O)(=O)[C@H](CSC1=CC=CC=C1)NC(OCC1=CC=CC=C1)=O
CAS DataBase Reference 159453-24-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3

Hazard Information

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