62129-39-9

Name (S)-N-BOC-4-Bromophenylalanine
CAS 62129-39-9
EINECS(EC#) 1592732-453-0
Molecular Formula C14H18BrNO4
MDL Number MFCD00237571
Molecular Weight 344.2
MOL File 62129-39-9.mol

Chemical Properties

Appearance off-white powder
Melting point  118 °C
Boiling point  475.3±40.0 °C(Predicted)
density  1.5311 (rough estimate)
refractive index  1.6500 (estimate)
storage temp.  Store at RT.
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Powder
pka 3.83±0.10(Predicted)
color  Off-white to light brown
Optical Rotation 14.001°(C=0.0025g/mL, MEOH, 20°C, 589nm)
Water Solubility  Slightly soluble in water.
InChI InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey ULNOXUAEIPUJMK-NSHDSACASA-N
SMILES C(O)(=O)[C@H](CC1=CC=C(Br)C=C1)NC(OC(C)(C)C)=O
CAS DataBase Reference 62129-39-9(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Corrosion (GHS05)
GHS05
Signal word  Danger
Hazard statements  H314
Precautionary statements  P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
Hazard Codes  Xi
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HazardClass  IRRITANT
HS Code  29223900

Hazard Information

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