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21739-92-4

Name 5-Bromo-2-chlorobenzoic acid
CAS 21739-92-4
EINECS(EC#) 244-558-5
Molecular Formula C7H4BrClO2
MDL Number MFCD00002415
Molecular Weight 235.46
MOL File 21739-92-4.mol
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Chemical Properties

Appearance white to light yellow crystal powder
Melting point  154-156 °C (lit.)
Boiling point  324.5±27.0 °C(Predicted)
density  1.7312 (rough estimate)
refractive index  1.5590 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  2.63g/l
form  Solid
pka 2.49±0.25(Predicted)
color  Off white colored powder
Water Solubility  Soluble in water 2.63 g/L @20°C.
BRN  2691432
InChI InChI=1S/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey FGERXQWKKIVFQG-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(Br)=CC=C1Cl
CAS DataBase Reference 21739-92-4(CAS DataBase Reference)
NIST Chemistry Reference 5-Bromo-2-chlorobenzoic acid(21739-92-4)
EPA Substance Registry System Benzoic acid, 5-bromo-2-chloro- (21739-92-4)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29163900

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