2-Chloro-5-nitrocinnamic acid Structure

2-Chloro-5-nitrocinnamic acid

Chemical Properties

Melting point 218-222 °C
Boiling point 401.7±35.0 °C(Predicted)
Density  1.529±0.06 g/cm3 (20 ºC 760 Torr)
refractive index  1.6000 (estimate)
storage temp.  Storage temp. 2-8°C
form  powder to crystal
pka 3.97±0.10(Predicted)
color  White to Yellow to Green
BRN  1972431
InChI InChI=1S/C9H6ClNO4/c10-8-3-2-7(11(14)15)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)
InChIKey IHTLKLSRRSWIGD-UHFFFAOYSA-N
SMILES C(O)(=O)C=CC1=CC([N+]([O-])=O)=CC=C1Cl
CAS DataBase Reference 36015-19-7(CAS DataBase Reference)

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H335-H315-H319
Precautionary statements P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  24/25
HazardClass  IRRITANT
HS Code  2921490090
NFPA 704:
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