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13139-15-6

Name BOC-L-Leucine
CAS 13139-15-6
EINECS(EC#) 236-073-2
Molecular Formula C11H21NO4
MDL Number MFCD00066067
Molecular Weight 231.29
MOL File 13139-15-6.mol
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Chemical Properties

Melting point  85-87 °C
Boiling point  356.0±25.0 °C(Predicted)
density  1.061±0.06 g/cm3(Predicted)
refractive index  -25 ° (C=2, AcOH)
storage temp.  −20°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Powder
pka 4.02±0.21(Predicted)
color  White
optical activity [α]20/D 25±0.5°, c = 2% in acetic acid
Detection Methods T,NMR,Rotation
BRN  1711814
InChI InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey URQQEIOTRWJXBA-QRPNPIFTSA-N
SMILES C(O)(=O)[C@H](CC(C)C)NC(OC(C)(C)C)=O
CAS DataBase Reference 13139-15-6(CAS DataBase Reference)
EPA Substance Registry System 13139-15-6(EPA Substance)

Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
TSCA  Yes
HS Code  29241990

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