261165-06-4

Name Boc-4-Bromo-D-beta-phenylalanine
CAS 261165-06-4
Molecular Formula C14H18BrNO4
MDL Number MFCD03419292
Molecular Weight 344.2
MOL File 261165-06-4.mol

Chemical Properties

Appearance white to off-white powder
Melting point  143.8 °C
Boiling point  479.1±40.0 °C(Predicted)
density  1.5311 (rough estimate)
refractive index  1.6500 (estimate)
storage temp.  Sealed in dry,2-8°C
form  Solid
pka 4.27±0.10(Predicted)
color  White to off-white
Optical Rotation [α]/D -46.0±2.0°, c = 1 in ethanol
InChI InChI=1/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/s3
InChIKey ZAMLGGRVTAXBHI-LBPXTSNRNA-N
SMILES [C@@H](CC(=O)O)(NC(=O)OC(C)(C)C)C1=CC=C(Br)C=C1 |&1:0,r|
CAS DataBase Reference 261165-06-4(CAS DataBase Reference)

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HS Code  29223900

Hazard Information

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