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114873-07-3

Name BOC-L-4-Trifluoromethylphe
CAS 114873-07-3
Molecular Formula C15H18F3NO4
MDL Number MFCD00792407
Molecular Weight 333.3
MOL File 114873-07-3.mol
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Chemical Properties

Melting point  118-137°C
Boiling point  431.4±45.0 °C(Predicted)
density  1.271±0.06 g/cm3(Predicted)
storage temp.  Keep Cold
form  powder to crystal
pka 3.76±0.10(Predicted)
color  White to Almost white
Optical Rotation [α]20/D +5.4±0.7°, c = 1% in methanol
BRN  5617499
Major Application peptide synthesis
InChI 1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-4-6-10(7-5-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKey SMVCCWNHCHCWAZ-NSHDSACASA-N
SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(O)=O
CAS DataBase Reference 114873-07-3(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
WGK Germany  3
Hazard Note  Harmful/Irritant/Keep Cold
HS Code  2924297099
Storage Class 13 - Non Combustible Solids

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