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3-Bromocinnamic acid Structure

3-Bromocinnamic acid

Chemical Properties

Melting point 177-179 °C(lit.)
Boiling point 344.1±25.0 °C(Predicted)
Density  1.5403 (rough estimate)
refractive index  1.5627 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  methanol: soluble
pka 4.27±0.10(Predicted)
form  Crystalline Powder
color  White to light yellow
InChI InChI=1S/C9H7BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)
InChIKey YEMUSDCFQUBPAL-SNAWJCMRSA-N
SMILES C(O)(=O)C=CC1=CC=CC(Br)=C1
CAS DataBase Reference 32862-97-8(CAS DataBase Reference)
EWG's Food Scores 1
NIST Chemistry Reference 3-Bromocinnamic acid(32862-97-8)
EPA Substance Registry System m-Bromocinnamic acid (32862-97-8)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38-37/38
Safety Statements  26-36
WGK Germany  3
RTECS  GD8420000
HazardClass  IRRITANT
HS Code  29163990

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