68090-88-0

Name BOC-L-4-Chlorophe
CAS 68090-88-0
Molecular Formula C14H18ClNO4
MDL Number MFCD00057808
Molecular Weight 299.75
MOL File 68090-88-0.mol
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Chemical Properties

Appearance pale yellow granular powder
Melting point  ~110 °C
alpha  24 º (c=1,EtOH)
Boiling point  452.5±40.0 °C(Predicted)
density  1.2167 (rough estimate)
refractive index  1.6800 (estimate)
storage temp.  Store at RT.
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  powder to crystal
pka 3.83±0.10(Predicted)
color  White to Almost white
Optical Rotation [α]20/D +26±3°, c = 1% in ethyl acetate
BRN  4261946
InChI InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey BETBOAZCLSJOBQ-NSHDSACASA-N
SMILES C(O)(=O)[C@H](CC1=CC=C(Cl)C=C1)NC(OC(C)(C)C)=O
CAS DataBase Reference 68090-88-0(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HazardClass  IRRITANT
HS Code  29242990

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