69632-31-1

Name (S)-(+)-N-(3,5-DINITROBENZOYL)-ALPHA-PHENYLETHYLAMINE
CAS 69632-31-1
Molecular Formula C15H13N3O5
MDL Number MFCD00064498
Molecular Weight 315.28
MOL File 69632-31-1.mol

Chemical Properties

Melting point  158-161 °C(lit.)
Boiling point  482.881±45.00 °C(Press: 760.00 Torr)(predicted)
density  1.43 g/cm³
pka 12.269±0.46(predicted)
Optical Rotation [α]20/D +46.2°, c = 0.9 in acetone
BRN  3627249
InChI 1S/C15H13N3O5/c1-10(11-5-3-2-4-6-11)16-15(19)12-7-13(17(20)21)9-14(8-12)18(22)23/h2-10H,1H3,(H,16,19)/t10-/m0/s1
InChIKey ABEVDCGKLRIYRW-JTQLQIEISA-N
SMILES C[C@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)c2ccccc2
CAS DataBase Reference 69632-31-1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
HS Code  2924299090
Storage Class 13 - Non Combustible Solids

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