113162-02-0

Name HYDROQUINIDINE 4-CHLOROBENZOATE
CAS 113162-02-0
Molecular Formula C27H29ClN2O3
MDL Number MFCD00151148
Molecular Weight 464.98
MOL File 113162-02-0.mol
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Chemical Properties

Melting point  102-105 °C(lit.)
Boiling point  598.0±40.0 °C(Predicted)
density  1.28±0.1 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
pka 9.31±0.70(Predicted)
Appearance White to off-white Solid
Optical Rotation [α]26/D 73°, c = 1 in ethanol
BRN  4302319
InChIKey TXVNNFDXQZFMBQ-XHYUFEOFSA-N
SMILES CC[C@@H]1CN2CCC1CC2[C@@H](OC(=O)c3ccc(Cl)cc3)c4ccnc5ccc(OC)cc45

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
RIDADR  1544
WGK Germany  3
HazardClass  6.1(b)
PackingGroup  III
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Spectrum Detail

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