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3-Bromobenzoic acid Structure

3-Bromobenzoic acid

Chemical Properties

Melting point 155-158 °C(lit.)
Boiling point >280 °C
Density  1,948 g/cm3
refractive index  1.6080 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  methanol: soluble50mg/mL, clear, colorless
form  Powder
pka 3.86(at 25℃)
color  White to light beige
Water Solubility  0.54 g/L (32 ºC)
BRN  2041792
InChI 1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey VOIZNVUXCQLQHS-UHFFFAOYSA-N
SMILES OC(=O)c1cccc(Br)c1
CAS DataBase Reference 585-76-2(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 3-bromo-(585-76-2)
EPA Substance Registry System m-Bromobenzoic acid (585-76-2)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38-37/38-36
Safety Statements  26-36-37/39
WGK Germany  3
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29163990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

Usage And Synthesis

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