20797-48-2

Name 4-Chloro-3-nitrocinnamic acid
CAS 20797-48-2
EINECS(EC#) 200-680-0
Molecular Formula C9H6ClNO4
MDL Number MFCD00063311
Molecular Weight 227.6
MOL File 20797-48-2.mol
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Chemical Properties

Appearance yellow crystalline powder
Melting point  188-190 °C(lit.)
Boiling point  408.6±35.0 °C(Predicted)
density  1.4751 (rough estimate)
refractive index  1.6000 (estimate)
storage temp.  Storage temp. 2-8°C
form  powder to crystal
pka 4.03±0.10(Predicted)
color  Light yellow to Brown
Detection Methods HPLC
InChI InChI=1S/C9H6ClNO4/c10-7-3-1-6(2-4-9(12)13)5-8(7)11(14)15/h1-5H,(H,12,13)
InChIKey QBDALTIMHOITIU-DUXPYHPUSA-N
SMILES C(O)(=O)C=CC1=CC=C(Cl)C([N+]([O-])=O)=C1
CAS DataBase Reference 20797-48-2(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
Hazard Note  Irritant
HS Code  29163990

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