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142995-31-1

Name BOC-L-3-Trifluoromethylphe
CAS 142995-31-1
Molecular Formula C15H18F3NO4
MDL Number MFCD00672524
Molecular Weight 333.3
MOL File 142995-31-1.mol
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Chemical Properties

Melting point  135-138 °C
Boiling point  423.2±45.0 °C(Predicted)
density  1.271±0.06 g/cm3(Predicted)
storage temp.  Keep Cold
form  Solid
pka 3.79±0.10(Predicted)
Optical Rotation [α]20/D +7.3±0.5°, c = 1% in methanol
BRN  7048145
Major Application peptide synthesis
InChI 1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-5-4-6-10(7-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKey SHMWDGGGZHFFRC-NSHDSACASA-N
SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)C(O)=O
CAS DataBase Reference 142995-31-1(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
WGK Germany  3
Hazard Note  Harmful/Irritant/Keep Cold
HazardClass  IRRITANT
HS Code  2924297099
Storage Class 11 - Combustible Solids

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