42287-90-1

Name 3-(3-Bromophenyl)propionic acid
CAS 42287-90-1
Molecular Formula C9H9BrO2
MDL Number MFCD01310792
Molecular Weight 229.07
MOL File 42287-90-1.mol
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Chemical Properties

Melting point  72-76 °C
Boiling point  336.3±17.0 °C(Predicted)
density  1.531±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  solid
pka 4.58±0.10(Predicted)
color  Off-white to light yellow
Water Solubility  Insoluble in water.
BRN  2362753
InChI InChI=1S/C9H9BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChIKey DWKWMFSWLCIMKI-UHFFFAOYSA-N
SMILES C1(CCC(O)=O)=CC=CC(Br)=C1
CAS DataBase Reference 42287-90-1(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
R34:Causes burns.
R22:Harmful if swallowed.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  3261
WGK Germany  3
HazardClass  IRRITANT
HS Code  29163990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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